citalopram [Ligand Id: 7547] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL549 (Celexa, Citadur, Citalopram) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of human plasma AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by Ellman's method | B | 4.13 | pIC50 | 73300 | nM | IC50 | Eur J Med Chem (2020) 198: 112368-112368 [PMID:32388114] |
| α1A-adrenoceptor/Alpha-1a adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.15 | pKi | 711 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.76 | pIC50 | 1756 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α1B-adrenoceptor/Alpha-1b adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.74 | pKi | 1820 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.48 | pIC50 | 3288 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α1D-adrenoceptor/Alpha-1d adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.79 | pKi | 1617 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 5.48 | pIC50 | 3289 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
| ChEMBL | In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]RTI-55 radioligand | B | 4.78 | pKi | 16540 | nM | Ki | J Med Chem (2004) 47: 1122-1135 [PMID:14971892] |
| DAT/Dopamine transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2799] [GtoPdb: 927] [UniProtKB: Q61327] | ||||||||
| ChEMBL | Tested in vitro for dopamine(DA) neuronal uptake inhibition | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (1990) 33: 2793-2797 [PMID:2213832] |
| DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
| ChEMBL | Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen | B | 4.78 | pKi | 16540 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 1131-1133 [PMID:15686927] |
| ChEMBL | Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting | B | 5.03 | pKi | 9270 | nM | Ki | J Med Chem (2010) 53: 6112-6121 [PMID:20672825] |
| ChEMBL | Inhibition of dopamine uptake in rat synaptosomal fraction | F | 4.39 | pIC50 | 41000 | nM | IC50 | J Med Chem (1985) 28: 1817-1828 [PMID:2999402] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | B | 4.86 | pKi | 13661.8 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | B | 4.78 | pIC50 | 16675.4 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of human Potassium channel HERG expressed in mammalian cells | B | 5.4 | pIC50 | 3981.07 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2773-2775 [PMID:12873512] |
| ChEMBL | Inhibitory concentration against potassium channel HERG | B | 5.4 | pIC50 | 3981.07 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2886-2890 [PMID:15911273] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique | B | 5.4 | pIC50 | 3981.07 | nM | IC50 | Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342] |
| ChEMBL | Inhibition of human ERG | B | 5.4 | pIC50 | 3981.07 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
| ChEMBL | Inhibition of human ERG | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2013) 56: 8955-8971 [PMID:23919353] |
| H1 receptor/Histamine H1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367] | ||||||||
| ChEMBL | DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) | B | 6.43 | pKi | 371 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) | B | 5.5 | pIC50 | 3194 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
| GtoPdb | Inhibition of [3H]dopamine uptake at human NET expressed in COS7 cells. | - | 3 | pKi | >1000000 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 323-6 [PMID:23168018] |
| ChEMBL | In vitro binding affinity against human norepinephrine transporter in human embryonic kidney cell line by using [3H]-nisoxatine radioligand | B | 5.21 | pKi | 6190 | nM | Ki | J Med Chem (2004) 47: 1122-1135 [PMID:14971892] |
| ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.66 | pKi | 2178 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.66 | pIC50 | 2196 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| NET/Norepinephrine transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2370] [GtoPdb: 926] [UniProtKB: O55192] | ||||||||
| ChEMBL | Tested in vitro for norepinephrine (NE) neuronal uptake inhibition | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (1990) 33: 2793-2797 [PMID:2213832] |
| Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4] | ||||||||
| ChEMBL | Displacement of [3H]nisoxetine from norepinephrine transporter of rat cerebral cortex | B | 5.21 | pKi | 6190 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 1131-1133 [PMID:15686927] |
| ChEMBL | Inhibition of noradrenaline uptake in rat synaptosomal fraction | F | 5.06 | pIC50 | 8800 | nM | IC50 | J Med Chem (1985) 28: 1817-1828 [PMID:2999402] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement | B | 4.3 | pKi | 50118.72 | nM | Ki | J Med Chem (1996) 39: 126-134 [PMID:8568799] |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.93 | pKi | 1171 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.74 | pIC50 | 1839 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.81 | pKi | 156 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.53 | pIC50 | 297 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| ChEMBL | Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells | B | 7.48 | pKi | 32.8 | nM | Ki | Bioorg Med Chem (2008) 16: 6364-6370 [PMID:18487050] |
| ChEMBL | Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells | B | 7.48 | pKi | 32.8 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 4727-4730 [PMID:18644726] |
| ChEMBL | Inhibition of [3H]5-HT uptake at human SERT expressed in COS7 cells after 3 mins by beta-counting | B | 7.8 | pKi | 16 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 323-326 [PMID:23168018] |
| ChEMBL | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | B | 8.36 | pKi | 4.38 | nM | Ki | Bioorg Med Chem (2008) 16: 6364-6370 [PMID:18487050] |
| ChEMBL | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | B | 8.36 | pKi | 4.38 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 4727-4730 [PMID:18644726] |
| GtoPdb | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells. | - | 8.36 | pKi | 4.38 | nM | Ki | Bioorg Med Chem (2008) 16: 6364-70 [PMID:18487050] |
| ChEMBL | Inhibition of SERT (unknown origin) | B | 8.8 | pKi | 1.6 | nM | Ki | J Med Chem (2020) 63: 15187-15217 [PMID:33111525] |
| ChEMBL | Inhibition of [125I]RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells | B | 8.8 | pKi | 1.6 | nM | Ki | J Med Chem (2004) 47: 1122-1135 [PMID:14971892] |
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 9.32 | pKi | 0.48 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of SERT (unknown origin) assessed as inhibition of serotonin uptake | B | 7.05 | pIC50 | 90 | nM | IC50 | J Med Chem (2013) 56: 9709-9724 [PMID:24237160] |
| ChEMBL | Inhibition of human wild type SERT expressed in COS7 cells assessed as inhibition of [3H]5HT uptake measured for 40 hrs by scintillation counting analysis | B | 7.23 | pIC50 | 59 | nM | IC50 | Eur J Med Chem (2021) 220: 113533-113533 [PMID:34049262] |
| ChEMBL | Inhibition of [3H]-serotonin reuptake at human SERT expressed in HEK293 cells after 15 to 20 mins by fluorescence neurotransmitter transporter assay | B | 7.72 | pIC50 | 19 | nM | IC50 | Bioorg Med Chem (2011) 19: 1328-1348 [PMID:21227702] |
| ChEMBL | Antagonist activity at SERT receptor (unknown origin) by fluorescence based assay | B | 7.87 | pIC50 | 13.41 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127027-127027 [PMID:32122737] |
| ChEMBL | Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scintillation counting method | B | 8.17 | pIC50 | 6.7 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 470-478 [PMID:28041833] |
| ChEMBL | Inhibition of SERT (unknown origin) expressed in HEK293 cells assessed as reduction in 5-HT uptake incubated for 30 mins | B | 8.2 | pIC50 | 6.27 | nM | IC50 | Bioorg Med Chem (2018) 26: 3117-3125 [PMID:29729987] |
| ChEMBL | Inhibition of SERT (unknown origin) in HEK293 cells assessed as inhibition of 5-HT reuptake by spectrophotometric analysis | B | 8.24 | pIC50 | 5.81 | nM | IC50 | Eur J Med Chem (2022) 229: 114045-114045 [PMID:34922191] |
| ChEMBL | Displacement of [3H]paroxetine from human SERT expressed in human HEK293 cells incubated for 30 mins by liquid scintillation counting analysis | B | 8.52 | pIC50 | 3 | nM | IC50 | Eur J Med Chem (2020) 198: 112368-112368 [PMID:32388114] |
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 9.04 | pIC50 | 0.9 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell membranes by scintillation counting method | B | 5.06 | pEC50 | 8700 | nM | EC50 | Bioorg Med Chem Lett (2017) 27: 470-478 [PMID:28041833] |
| SERT/Serotonin transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4642] [GtoPdb: 928] [UniProtKB: Q60857] | ||||||||
| ChEMBL | Tested in vitro for serotonin(5-HT) neuronal uptake inhibition | B | 8.54 | pKi | 2.9 | nM | Ki | J Med Chem (1990) 33: 2793-2797 [PMID:2213832] |
| SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting | B | 8.71 | pKi | 1.94 | nM | Ki | J Med Chem (2010) 53: 6112-6121 [PMID:20672825] |
| ChEMBL | Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex | B | 8.8 | pKi | 1.6 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 1131-1133 [PMID:15686927] |
| ChEMBL | Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex | B | 8.82 | pKi | 1.5 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 1559-1562 [PMID:10915050] |
| ChEMBL | Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting | B | 8.41 | pIC50 | 3.9 | nM | IC50 | J Med Chem (2011) 54: 3206-3221 [PMID:21486038] |
| ChEMBL | Inhibition of [3H]5-HT reuptake at rat SERT expressed in HEK293 cells after 2 mins by liquid scintillation counting | B | 8.5 | pIC50 | 3.17 | nM | IC50 | Eur J Med Chem (2009) 44: 4862-4888 [PMID:19717215] |
| ChEMBL | Displacement of [3H]paroxetine from SERT in rat cortical membranes after 6 mins by liquid scintillation counting | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem (2013) 21: 7604-7611 [PMID:24262884] |
| ChEMBL | Inhibition of 5-HT uptake in rat synaptosomal fraction | F | 8.74 | pIC50 | 1.8 | nM | IC50 | J Med Chem (1985) 28: 1817-1828 [PMID:2999402] |
| σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7] | ||||||||
| ChEMBL | Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat brain membranes in presence of (+)-pentazocine by scintillation counting method | B | 5.27 | pKi | 5410 | nM | Ki | J Med Chem (2020) 63: 15187-15217 [PMID:33111525] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.78 | pKi | 167 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.4 | pIC50 | 398 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3602] [GtoPdb: 2552] [UniProtKB: Q9R0C9] | ||||||||
| ChEMBL | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Sprague-Dawley rat brain membranes by scintillation counting method | B | 6.53 | pKi | 292 | nM | Ki | J Med Chem (2020) 63: 15187-15217 [PMID:33111525] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | B | 4.73 | pIC50 | 18800 | nM | IC50 | J Med Chem (2008) 51: 5932-5942 [PMID:18788725] |
| Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380] | ||||||||
| ChEMBL | Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting | B | 5.23 | pKi | 5950 | nM | Ki | J Med Chem (2010) 53: 6112-6121 [PMID:20672825] |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes | F | 4.19 | pIC50 | 64500 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
