Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D7RK2M
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| Drug Name |
THZ531
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| Synonyms |
1702809-17-3; THZ-531; (R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide; CHEMBL4163879; THZ531 HCl; THZ-531 HCl; SCHEMBL16655248; SCHEMBL16655252; CHEBI:143122; THZ531; THZ 531; (E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide; AMY16834; BCP28996; EX-A1532; BDBM50528813; NSC821656; s6595; NSC-821656; SB18810; AC-31604; BS-16034; HY-103618; CS-0015451; J3.623.785F; CN(C)CC=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12; (2E)-N-(4-{[(3R)-3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}piperidin-1-yl]carbonyl}phenyl)-4-(dimethylamino)but-2-enamide
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C00-D48; ICD-9: 140-199] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C30H32ClN7O2
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| Canonical SMILES |
CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
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| InChI |
1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1
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| InChIKey |
RUBYHLPRZRMTJO-MOVYNIQHSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:143122
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cyclin-dependent kinase 12 (CDK12) | Target Info | Inhibitor | [1] |
| Cyclin-dependent kinase 13 (CDK13) | Target Info | Inhibitor | [1] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors. Nat Chem Biol. 2016 Oct;12(10):876-84. | |||
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