flavone [Ligand Id: 409] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL275638 (Flavone, NSC-19028)
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
  • 5.48
1 CHEMBL275638_lig_chart_1 Adenosine A1 receptor Rat
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  • A2A receptor in Human [GtoPdb: 19] [UniProtKB: P29274]
  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
  • 5.46
2 CHEMBL275638_lig_chart_2 A2A receptor HumanRat
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • 4.77
3 CHEMBL275638_lig_chart_3 Adenosine A3 receptor Human
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  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
  • Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
  • This target only has 0 pki data point
  • 0
4 CHEMBL275638_lig_chart_4 Androgen Receptor HumanRat
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  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
  • This target only has 0 pki data point
  • 0
5 CHEMBL275638_lig_chart_5 ATP-binding cassette sub-family G member 2 Human
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
  • 5.72
6 CHEMBL275638_lig_chart_6 Carbonic anhydrase I Human
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
  • 5.06
7 CHEMBL275638_lig_chart_7 Carbonic anhydrase II Human
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  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
  • 5.38
8 CHEMBL275638_lig_chart_8 Carbonic anhydrase IX Human
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
  • 5.14
9 CHEMBL275638_lig_chart_9 Carbonic anhydrase XII Human
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  • CYP19A1/Cytochrome P450 19A1 in Human [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
  • This target only has 0 pki data point
  • 0
10 CHEMBL275638_lig_chart_10 Cytochrome P450 19A1 Human
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  • CYP1B1/Cytochrome P450 1B1 in Human [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
  • This target only has 0 pki data point
  • 0
11 CHEMBL275638_lig_chart_11 Cytochrome P450 1B1 Human
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  • Dihydroorotate dehydrogenase in Plasmodium falciparum [ChEMBL: CHEMBL3486] [UniProtKB: Q54A96]
  • Dihydroorotate dehydrogenase in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL5621] [UniProtKB: P28272]
  • This target only has 0 pki data point
  • 0
12 CHEMBL275638_lig_chart_12 Dihydroorotate dehydrogenase Plasmodium falciparumSaccharomyces cerevisiae S288c
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  • dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
  • This target only has 0 pki data point
  • 0
13 CHEMBL275638_lig_chart_13 Dipeptidyl peptidase IV Human
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  • protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase in Human [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527]
  • This target only has 0 pki data point
  • 0
14 CHEMBL275638_lig_chart_14 DNA-dependent protein kinase Human
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15 CHEMBL275638_lig_chart_15 GABA-A receptor; anion channel HumanRat
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  • ABCB1/P-glycoprotein 1 in Human [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
  • This target only has 0 pki data point
  • 0
16 CHEMBL275638_lig_chart_16 P-glycoprotein 1 Human
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
  • 0
17 CHEMBL275638_lig_chart_17 Plasmodium falciparum Plasmodium falciparum
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  • poly(ADP-ribose) polymerase 1/Poly [ADP-ribose] polymerase-1 in Human [ChEMBL: CHEMBL3105] [GtoPdb: 2771] [UniProtKB: P09874]
  • This target only has 0 pki data point
  • 0
18 CHEMBL275638_lig_chart_18 Poly [ADP-ribose] polymerase-1 Human
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  • tankyrase/Tankyrase-1 in Human [ChEMBL: CHEMBL6164] [GtoPdb: 3108] [UniProtKB: O95271]
  • This target only has 0 pki data point
  • 0
19 CHEMBL275638_lig_chart_19 Tankyrase-1 Human
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  • tankyrase 2/Tankyrase-2 in Human [ChEMBL: CHEMBL6154] [GtoPdb: 3109] [UniProtKB: Q9H2K2]
  • This target only has 0 pki data point
  • 0
20 CHEMBL275638_lig_chart_20 Tankyrase-2 Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA displacement. B 5.48 pKi 3280 nM Ki J. Med. Chem. (1996) 39: 2293-2301 [PMID:8691424]
ChEMBL Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes. B 5.48 pKi 3280 nM Ki J. Med. Chem. (1996) 39: 781-788 [PMID:8576921]
GtoPdb - - 5.5 pKi - - - J Med Chem (1996) 39: 2293-301 [PMID:8691424]
A2A receptor in Human [GtoPdb: 19] [UniProtKB: P29274]
GtoPdb - - 5.5 pKi - - - J Med Chem (1996) 39: 2293-301 [PMID:8691424]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement. B 5.46 pKi 3450 nM Ki J. Med. Chem. (1996) 39: 781-788 [PMID:8576921]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]AB-MECA 21680 radioligand. B 4.77 pKi 16900 nM Ki J. Med. Chem. (1996) 39: 2293-2301 [PMID:8691424]
ChEMBL Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK293 cells B 4.77 pKi 16900 nM Ki J. Med. Chem. (1996) 39: 781-788 [PMID:8576921]
GtoPdb - - 4.8 pKi - - - J Med Chem (1996) 39: 2293-301 [PMID:8691424]
Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene assay F 5.23 pIC50 5900 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 4706-4710 [PMID:19592245]
ChEMBL Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene assay F 5.23 pIC50 5900 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 4706-4710 [PMID:19592245]
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) B 4.11 pIC50 77624.71 nM IC50 J. Med. Chem. (2005) 48: 5666-5674 [PMID:16134935]
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining B 4.59 pIC50 26000 nM IC50 Bioorg. Med. Chem. (2011) 19: 2090-2102 [PMID:21354800]
ChEMBL Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining B 4.77 pIC50 17000 nM IC50 Bioorg. Med. Chem. (2011) 19: 2090-2102 [PMID:21354800]
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay B 5.72 pKi 1890 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
ChEMBL Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay B 5.73 pKi 1880 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay B 5.06 pKi 8800 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
ChEMBL Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay B 5.06 pKi 8710 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
ChEMBL Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay B 5.37 pKi 4220 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
ChEMBL Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay B 5.38 pKi 4130 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay B 5.13 pKi 7330 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
ChEMBL Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay B 5.14 pKi 7220 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 3063-3066 [PMID:22487176]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL Inhibition of aromatase (unknown origin) B 5 pIC50 10000 nM IC50 Bioorg. Med. Chem. (2014) 22: 126-134 [PMID:24345481]
ChEMBL Inhibition of aromatase (unknown origin) B 5.1 pIC50 8000 nM IC50 Eur. J. Med. Chem. (2015) 102: 375-386 [PMID:26301554]
ChEMBL Inhibition of human placental microsome CYP19 B 8.1 pIC50 8 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 3050-3064 [PMID:20413308]
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in presence of NADP+ by spectrofluorometeric analysis B 6.22 pIC50 600 nM IC50 Eur J Med Chem (2017) 135: 296-306 [PMID:28458135]
Dihydroorotate dehydrogenase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3486] [UniProtKB: Q54A96]
ChEMBL Inhibition of Plasmodium falciparum DHOD B 5 pIC50 >10000 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 972-975 [PMID:19097788]
Dihydroorotate dehydrogenase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5621] [UniProtKB: P28272]
ChEMBL Inhibition of Saccharomyces cerevisiae DHOD B 5 pIC50 >10000 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 972-975 [PMID:19097788]
dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
ChEMBL Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay B 6.77 pIC50 170 nM IC50 Eur J Med Chem (2018) 151: 145-157 [PMID:29609120]
protein kinase, DNA-activated, catalytic subunit/DNA-dependent protein kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3142] [GtoPdb: 2800] [UniProtKB: P78527]
ChEMBL Inhibition of DNA dependent protein kinase isolated from HeLa cells B 5 pIC50 >10000 nM IC50 J. Med. Chem. (2005) 48: 569-585 [PMID:15658870]
GABAA receptor π subunit/GABAA receptor δ subunit/GABAA receptor α1 subunit/GABAA receptor β1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor α2 subunit/GABAA receptor β2 subunit/GABAA receptor α4 subunit/GABAA receptor ε subunit/GABAA receptor α6 subunit/GABAA receptor γ1 subunit/GABAA receptor γ3 subunit/GABAA receptor θ subunit/GABA-A receptor; anion channel in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2093872] [GtoPdb: 419416404410414412408406405411407417409413415418] [UniProtKB: O00591O14764P14867P18505P18507P28472P31644P34903P47869P47870P48169P78334Q16445Q8N1C3Q99928Q9UN88]
ChEMBL Binding affinity towards benzodiazepine site in GABAA receptor B 6 pKi 1000 nM Ki J. Med. Chem. (2001) 44: 1883-1891 [PMID:11384234]
ChEMBL Inhibition of binding to GABA-A Benzodiazepine receptor B 7.77 pKi 17 nM Ki J. Med. Chem. (1999) 42: 3743-3778 [PMID:10508425]
GABAA receptor π subunit/GABAA receptor β1 subunit/GABAA receptor δ subunit/GABAA receptor γ2 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor γ1 subunit/GABAA receptor α2 subunit/GABAA receptor α4 subunit/GABAA receptor γ3 subunit/GABAA receptor α6 subunit/GABAA receptor α1 subunit/GABAA receptor β3 subunit/GABAA receptor β2 subunit/GABAA receptor ε subunit/GABA-A receptor; anion channel in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907607] [GtoPdb: 419410416414408406413405407415409404412411417] [UniProtKB: O09028P15431P18506P18508P19969P20236P23574P23576P28471P28473P30191P62813P63079P63138Q91ZM7Q9ES14]
ChEMBL In vitro affinity against Benzodiazepine receptor binding to rat cortical membranes (using [3H]- flumazenil as radioligand). B 5.38 pKi 4200 nM Ki J. Med. Chem. (1999) 42: 4343-4350 [PMID:10543878]
ChEMBL Ability to inhibit [3H]-Ro- 15-1788 binding to Gamma-aminobutyric acid A receptor alpha in vitro in rat cortical membranes B 5.38 pKi 4200 nM Ki J. Med. Chem. (2002) 45: 4188-4201 [PMID:12213060]
ChEMBL Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine receptor of rat cerebral cortical membrane B 6 pKi 1000 nM Ki Bioorg. Med. Chem. Lett. (1997) 7: 2003-2008
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL Binding affinity to ABCB1 nucleotide binding domain 2 B 4.47 pKd 33884.42 nM Kd Eur. J. Med. Chem. (2011) 46: 4078-4088 [PMID:21723648]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 F 4.22 pIC50 60800 nM IC50 J. Med. Chem. (2006) 49: 3345-3353 [PMID:16722653]
ChEMBL Antimalarial activity against Plasmodium falciparum DD2 expressing Saccharomyces cerevisiae DHOD by [3H]hypoxanthine uptake F 5 pIC50 >10000 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 972-975 [PMID:19097788]
ChEMBL Antimalarial activity against Plasmodium falciparum DD2 by [3H]hypoxanthine uptake F 8.7 pIC50 2 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 972-975 [PMID:19097788]
poly(ADP-ribose) polymerase 1/Poly [ADP-ribose] polymerase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3105] [GtoPdb: 2771] [UniProtKB: P09874]
ChEMBL Inhibition of human recombinant ARTD1 by fluorescence assay B 5.85 pIC50 1400 nM IC50 J. Med. Chem. (2013) 56: 3507-3517 [PMID:23574272]
ChEMBL Inhibition of human recombinant ARTD1 by fluorescence assay B 5.86 pIC50 1380.38 nM IC50 J. Med. Chem. (2013) 56: 3507-3517 [PMID:23574272]
tankyrase/Tankyrase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6164] [GtoPdb: 3108] [UniProtKB: O95271]
ChEMBL Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence assay B 6.48 pIC50 330 nM IC50 J. Med. Chem. (2013) 56: 7880-7889 [PMID:24116873]
ChEMBL Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay B 6.49 pIC50 323.59 nM IC50 J. Med. Chem. (2013) 56: 3507-3517 [PMID:23574272]
ChEMBL Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence assay B 6.49 pIC50 323.59 nM IC50 J. Med. Chem. (2013) 56: 7880-7889 [PMID:24116873]
ChEMBL Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay B 6.49 pIC50 320 nM IC50 J. Med. Chem. (2013) 56: 3507-3517 [PMID:23574272]
tankyrase 2/Tankyrase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6154] [GtoPdb: 3109] [UniProtKB: Q9H2K2]
ChEMBL Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assay B 6.83 pIC50 147.91 nM IC50 J. Med. Chem. (2013) 56: 3507-3517 [PMID:23574272]
ChEMBL Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assay B 6.85 pIC50 140 nM IC50 J. Med. Chem. (2013) 56: 3507-3517 [PMID:23574272]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]