Details of the Drug | DrugMAP

General Information of Drug (ID: DME7FQ4)

Drug Name

CHIR-29498

Synonyms

CHIR-29496; CHIR-29499; CHIR-33670

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C38H55N5O3
Canonical SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCC(=O)N(CCN)CC(=O)N(CC(=O)N)C4CCCC5=CC=CC=C45)C
InChI: 1S/C38H55N5O3/c1-26(2)28-13-15-31-29(21-28)14-16-33-37(3,17-8-18-38(31,33)4)25-41-22-35(45)42(20-19-39)24-36(46)43(23-34(40)44)32-12-7-10-27-9-5-6-11-30(27)32/h5-6,9,11,13,15,21,26,32-33,41H,7-8,10,12,14,16-20,22-25,39H2,1-4H3,(H2,40,44)/t32?,33-,37-,38+/m0/s1
InChIKey: UCQJCJGDMWOONX-XEWALUAGSA-N

Cross-matching ID

PubChem CID: 72941775
CAS Number: 236102-25-3
TTD ID: D0JB4W

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013262)