chloroquine [Ligand Id: 5535] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL76 (Aralen, Chlorochine, Chloroquine, NSC-187208)
  • α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
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  • α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
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  • α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825]
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  • beta-secretase 1/Beta-secretase 1 in Human [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
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  • CXCR4/C-X-C chemokine receptor type 4 in Human [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073]
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  • Histidine-rich protein in Plasmodium falciparum [ChEMBL: CHEMBL1923] [UniProtKB: P05227]
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  • M1 receptor/Muscarinic acetylcholine receptor M1 in Human [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
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  • M2 receptor/Muscarinic acetylcholine receptor M2 in Human [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
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  • M3 receptor/Muscarinic acetylcholine receptor M3 in Human [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309]
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  • M4 receptor/Muscarinic acetylcholine receptor M4 in Human [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
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  • M5 receptor/Muscarinic acetylcholine receptor M5 in Human [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912]
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  • Nuclear receptor related 1/Nuclear receptor subfamily 4 group A member 2 in Human [ChEMBL: CHEMBL5002] [GtoPdb: 630] [UniProtKB: P43354]
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  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125313932063261] [UniProtKB: P0DTD1]
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  • mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
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  • CoV Spike glycoprotein/Spike glycoprotein in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4662936] [GtoPdb: 3114] [UniProtKB: P0DTC2]
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  • MRGPRX1 in Human [GtoPdb: 156] [UniProtKB: Q96LB2]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
ChEMBL Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine B 5.36 pKi 4365.16 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
ChEMBL Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine B 4.5 pKi 31622.78 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825]
ChEMBL Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine B 5 pKi 10000 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
ChEMBL Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 42 residues) production measured after 24 hrs by ELISA B 4.89 pIC50 12800 nM IC50 Bioorg Med Chem (2018) 26: 2151-2164 [PMID:29559198]
ChEMBL Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 40 residues) production measured after 24 hrs B 5.15 pIC50 7000 nM IC50 Bioorg Med Chem (2018) 26: 2151-2164 [PMID:29559198]
Angiotensin-converting enzyme 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3736] [GtoPdb: 1614] [UniProtKB: Q9BYF1]
ChEMBL Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence based analysis B 5.95 pIC50 1130 nM IC50 J Med Chem (2020) 63: 12256-12274 [PMID:32539378]
beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817]
ChEMBL Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 42) level after 24 hrs by ELISA method B 4.9 pIC50 12700 nM IC50 Eur J Med Chem (2018) 159: 104-125 [PMID:30268822]
ChEMBL Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 40) level after 24 hrs by ELISA method B 5.15 pIC50 7000 nM IC50 Eur J Med Chem (2018) 159: 104-125 [PMID:30268822]
CXCR4/C-X-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073]
ChEMBL Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production B 5.19 pEC50 6500 nM EC50 Eur J Med Chem (2018) 157: 582-598 [PMID:30125720]
Dihydrofolate reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075051] [UniProtKB: P00376]
ChEMBL Inhibition of bovine liver DHFR B 7.52 pIC50 30.1 nM IC50 Bioorg Med Chem (2017) 25: 5396-5406 [PMID:28789907]
ChEMBL Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPH B 7.52 pIC50 30.1 nM IC50 Bioorg Med Chem (2017) 25: 4064-4075 [PMID:28634040]
Falcipain 2 in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697672] [UniProtKB: Q9NAW2]
ChEMBL Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in bacterial growth after 24 hrs by Giemsa staining based assay B 6.7 pIC50 200 nM IC50 Bioorg Med Chem Lett (2018) 28: 1566-1569 [PMID:29602682]
Hemozoin in Plasmodium falciparum (target type: MACROMOLECULE) [ChEMBL: CHEMBL613898]
ChEMBL Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 16 hrs by NP40 detergent-mediated assay B 4.13 pIC50 74000 nM IC50 Eur J Med Chem (2019) 180: 121-133 [PMID:31301563]
ChEMBL Inhibition of beta-hematin B 4.28 pIC50 53000 nM IC50 J Med Chem (2016) 59: 6512-6530 [PMID:27299916]
ChEMBL Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 5 hrs by NP40 detergent-based assay B 4.28 pIC50 53000 nM IC50 Medchemcomm (2019) 10: 450-455 [PMID:31015908]
ChEMBL Inhibition of beta-hematin in water/NP40/DMSO solution incubated for 5 to 6hrs by detergent-mediated pyridine-ferrichrome method B 4.5 pIC50 31500 nM IC50 J Med Chem (2016) 59: 6512-6530 [PMID:27299916]
ChEMBL Inhibition of Beta-hematin in Plasmodium falciparum NF54 assessed as hemozoin formation after 36 hrs by flow cytometry analysis B 4.66 pIC50 22000 nM IC50 J Med Chem (2022) 65: 16695-16715 [PMID:36507890]
ChEMBL Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 5 hrs by NP40 detergent-mediated assay B 4.68 pIC50 21000 nM IC50 J Med Chem (2020) 63: 13013-13030 [PMID:33103428]
ChEMBL Inhibition of Beta-hematin assessed as bis-pyridyl-Fe(III)PPIX complex formation incubated for 5 hrs by NP40 detergent-mediated colorimetric assay B 4.72 pIC50 19000 nM IC50 J Med Chem (2021) 64: 2739-2761 [PMID:33620219]
ChEMBL Inhibition of beta hematin formation after 5 hrs by NP40 detergent-based assay B 4.74 pIC50 18000 nM IC50 J Med Chem (2019) 62: 1022-1035 [PMID:30562027]
ChEMBL Inhibition of beta-hematin formation assessed as reduction in hemozoin formation incubated for 20 hrs by NP40 detergent-mediated assay B 4.77 pIC50 16900 nM IC50 RSC Med Chem (2020) 11: 85-91 [PMID:33479606]
ChEMBL Inhibition of Beta-hematin in Plasmodium falciparum cells assessed as hemozoin formation after 32 hrs by NP40 detergent-mediated assay B 4.77 pIC50 16800 nM IC50 Bioorg Med Chem Lett (2021) 54: 128442-128442 [PMID:34763083]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG expressed in CHO cells B 5.12 pKi 7500 nM Ki ACS Med Chem Lett (2013) 4: 1037-1041 [PMID:24900603]
ChEMBL Inhibition of human ERG B 5.6 pIC50 2511.89 nM IC50 Eur J Med Chem (2011) 46: 618-630 [PMID:21185626]
ChEMBL Inhibitory concentration against IKr potassium channel B 5.6 pIC50 2500 nM IC50 Bioorg Med Chem Lett (2004) 14: 4771-4777 [PMID:15324906]
ChEMBL Inhibition of human cloned ERG B 5.6 pIC50 2500 nM IC50 J Med Chem (2009) 52: 1408-1415 [PMID:19222165]
ChEMBL Inhibition of human ERG expressed in HEK293 cells assessed as reduction in tail current at membrane potential of +20 mV B 5.6 pIC50 2500 nM IC50 Bioorg Med Chem Lett (2015) 25: 1390-1393 [PMID:25746816]
Histidine-rich protein in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1923] [UniProtKB: P05227]
ChEMBL Inhibition of 1-monooleoyl glycerol (MOG) induced beta-hematin formation F 4.12 pIC50 76500 nM IC50 Bioorg Med Chem Lett (2003) 13: 3783-3787 [PMID:14552779]
ChEMBL Inhibition of beta-hematin formation in Plasmodium falciparum F 4.12 pIC50 75000 nM IC50 Bioorg Med Chem Lett (2001) 11: 2075-2077 [PMID:11514142]
ChEMBL Inhibition of 1-monooleoyl glycerol induced beta-hematin formation F 4.22 pIC50 60000 nM IC50 Bioorg Med Chem Lett (2006) 16: 31-35 [PMID:16263280]
ChEMBL Inhibition of lipid-induced beta-hematin formation F 4.33 pIC50 46300 nM IC50 J Med Chem (2006) 49: 4707-4714 [PMID:16854077]
ChEMBL Inhibition of beta-hematin formation F 4.42 pIC50 38000 nM IC50 J Med Chem (2002) 45: 4975-4983 [PMID:12408708]
ChEMBL Inhibition of beta-hematin formation after 16 hrs F 4.81 pIC50 15400 nM IC50 Antimicrob Agents Chemother (2007) 51: 2842-2847 [PMID:17562796]
ChEMBL Inhibition of hematin polymerization F 4.82 pIC50 15000 nM IC50 J Med Chem (1999) 42: 4630-4639 [PMID:10579825]
ChEMBL Inhibition of beta-hematin polymerization B 6.4 pIC50 400 nM IC50 J Med Chem (2007) 50: 394-398 [PMID:17228883]
ChEMBL Inhibitory activity against beta-hematin formation F 7.12 pIC50 76.5 nM IC50 J Med Chem (2003) 46: 542-557 [PMID:12570376]
M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
ChEMBL Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB B 5.04 pKi 9120.11 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
ChEMBL Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB B 5.33 pKi 4677.35 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309]
ChEMBL Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB B 5.48 pKi 3311.31 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173]
ChEMBL Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB B 5.24 pKi 5754.4 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912]
ChEMBL Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB B 4.66 pKi 21877.62 nM Ki A SARS-CoV-2 protein interaction map reveals targets for drug repurposing
Nuclear receptor related 1/Nuclear receptor subfamily 4 group A member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5002] [GtoPdb: 630] [UniProtKB: P43354]
ChEMBL Agonist activity at Nurr1 ligand binding domain (unknown origin) measured by Gal4-based reporter gene assay B 4.3 pEC50 50000 nM EC50 J Med Chem (2022) 65: 9548-9563 [PMID:35797147]
ChEMBL Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity incubated for 12 to 14 hrs by hybrid reporter gene assay B 4.33 pEC50 47000 nM EC50 J Med Chem (2021) 64: 2659-2668 [PMID:33629841]
Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653]
ChEMBL Antimalarial activity against luciferase-expressing Plasmodium berghei ANKA 676m1cl1 sporozoites infected in human HepG2A16 cells measured after 45 hrs by luciferase-luciferin based reporter gene assay F 4.5 pIC50 >31262 nM IC50 J Med Chem (2020) 63: 6179-6202 [PMID:32390431]
ChEMBL Antimalarial activity against luciferase-expressing Plasmodium berghei ANKA 676m1cl1 sporozoites infected in human HepG2A16 cells measured after 45 hrs by luciferase-luciferin based reporter assay F 4.5 pIC50 >31262 nM IC50 J Med Chem (2019) 62: 3475-3502 [PMID:30852885]
ChEMBL Antiplasmodial activity against Plasmodium berghei liver stage form transfected in human Huh-7 cells assessed as cell viability after 48 hrs by luciferase reporter gene assay F 4.8 pIC50 15900 nM IC50 J Med Chem (2013) 56: 556-567 [PMID:23273038]
ChEMBL Antiplasmodial activity against liver stage of Plasmodium berghei expressing GFP-Luc infected in HuH7 cells incubated at 1 hr prior to infection followed by compound replenisment at 24 hrs post-infection measured after 48 hrs by Alamar blue assay F 4.82 pIC50 >15000 nM IC50 Bioorg Med Chem Lett (2013) 23: 610-613 [PMID:23290049]
ChEMBL Antimalarial activity against exo-erythrocytic form of Plasmodium berghei infected in human HepG2 cells after 48 hrs F 5 pIC50 >10000 nM IC50 Eur J Med Chem (2014) 82: 204-213 [PMID:24904967]
ChEMBL Antimalarial activity against sporozoite stage of Plasmodium berghei yoelii infected in human HepG2 cells F 5.05 pIC50 9000 nM IC50 J Med Chem (2016) 59: 264-281 [PMID:26640981]
ChEMBL Antimalarial activity against schizonts of chloroquine-sensitive Plasmodium berghei ANKA 2.34 after 16 hrs F 7.22 pIC50 60 nM IC50 Bioorg Med Chem Lett (2012) 22: 7048-7051 [PMID:23084276]
ChEMBL Antiplasmodial activity against liver stage Plasmodium berghei ANKA infected in human HepG2 cells measured after 44 hrs F 8.92 pIC50 >1.2 nM IC50 Eur J Med Chem (2018) 146: 1-14 [PMID:29360043]
ChEMBL Antimicrobial activity against Plasmodium berghei sporozoites infected in 12 hrs compound pretreated human HepG2 cells assessed as reduction in viability of exoerythrocytic forms measured after 48 hrs of incubation by luciferase bioluminescence assay F 5 pEC50 >10000 nM EC50 J Med Chem (2014) 57: 2773-2788 [PMID:24641010]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Inhibition of hematin polymerization in Plasmodium falciparum F 4.1 pIC50 80000 nM IC50 J Med Chem (1998) 41: 4360-4364 [PMID:9784111]
ChEMBL Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human O positive erythrocyte assessed as reduction in parasitemia after 72 hrs F 4.19 pIC50 >64000 nM IC50 Bioorg Med Chem (2014) 22: 5241-5248 [PMID:25199582]
ChEMBL Gametocytocidal activity against synchronous stage 4 to 5 of transgenic Plasmodium falciparum NF54 gametocyte harboring pfs16 promoter assessed as parasite viability after 72 hrs by MitoTracker Red CMXRos-based assay F 4.22 pIC50 60000 nM IC50 J Med Chem (2013) 56: 6200-6215 [PMID:23837878]
ChEMBL Inhibition of hydrogen peroxide-mediated haem detoxification in Plasmodium falciparum F 4.43 pIC50 37000 nM IC50 Bioorg Med Chem Lett (2001) 11: 2075-2077 [PMID:11514142]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 infected in human RBC F 4.49 pIC50 32000 nM IC50 ACS Med Chem Lett (2013) 4: 1037-1041 [PMID:24900603]
ChEMBL Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum D6 infected in erythrocytes by LDH assay F 4.53 pIC50 29700 nM IC50 Bioorg Med Chem (2009) 17: 741-751 [PMID:19084416]
ChEMBL Antimalarial activity against chloroquine-resistant Plasmodium falciparum F 4.53 pIC50 29640 nM IC50 Eur J Med Chem (2019) 166: 206-223 [PMID:30711831]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 96 hrs by [3H]hypoxanthine incorporation assay F 4.68 pIC50 21000 nM IC50 J Med Chem (2009) 52: 7954-7957 [PMID:19908867]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 48 hrs by [3H]hypoxanthine incorporation assay F 4.72 pIC50 19000 nM IC50 J Med Chem (2009) 52: 7954-7957 [PMID:19908867]
ChEMBL Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 by lactate dehydrogenase assay F 4.79 pIC50 16300 nM IC50 J Nat Prod (2018) 81: 41-48 [PMID:29309141]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 infected in human O positive erythrocytes assessed as reduction of parasite growth after 24 to 44 hrs by Giemsa staining F 4.82 pIC50 15000 nM IC50 Eur J Med Chem (2013) 67: 158-165 [PMID:23851117]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 F 4.9 pIC50