Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D00PWQ
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| Former ID |
DNC004072
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| Drug Name |
KENPAULLONE
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| Synonyms |
kenpaullone; 142273-20-9; 9-Bromopaullone; NSC 664704; 9-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one; NSC-664704; NSC664704; MLS002702152; CHEMBL296586; 9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one; Indolo[3,2-d][1]benzazepin-6(5H)-one,9-bromo-7,12-dihydro-; QQUXFYAWXPMDOE-UHFFFAOYSA-N; 9-Bromo-7,12-dihydro-indolo[3,2-d][1]benzazepin-6(5H)-one; 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one; 9-Bromo-7,12-dihydro-indolo-[3,2-d]-[1]benzazepin-6(5H)-one
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H11BrN2O
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| Canonical SMILES |
C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br
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| InChI |
1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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| InChIKey |
QQUXFYAWXPMDOE-UHFFFAOYSA-N
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| CAS Number |
CAS 142273-20-9
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| PubChem Compound ID | ||||
| PubChem Substance ID |
239529, 510800, 5316928, 8036822, 8137684, 8152418, 10318973, 11111353, 11114063, 11114602, 11426650, 11447379, 14875043, 17405208, 24278507, 26752182, 26759020, 29222939, 47364999, 47365000, 47736273, 48034917, 48334285, 50104838, 50104839, 53777753, 57322006, 68533354, 77506583, 85231102, 85756472, 85787252, 90341508, 91614107, 92304234, 92764154, 99302770, 103235175, 103809703, 103905487, 104304619, 117390778, 121361459, 124633633, 124634238, 124880504, 124880505, 124880506, 125335557, 129062026
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| ChEBI ID |
CHEBI:92658
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6000). | |||
| REF 2 | Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay. Eur J Med Chem. 2010 Sep;45(9):4316-30. | |||
| REF 3 | 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta. Bioorg Med Chem Lett. 2004 Jan 19;14(2):413-6. | |||
| REF 4 | Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666. | |||
| REF 5 | A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different class... J Med Chem. 2004 Oct 21;47(22):5418-26. | |||
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