Details of the Drug

General Information of Drug (ID: DMBBIA7)

Drug Name

Retaspimycin

Synonyms

UNII-BZF2ZM0I5Z; IPI-504; BZF2ZM0I5Z; CHEBI:71975; 857402-23-4; (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[1631]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate; Retaspimycin [USAN:INN]; Retaspimycin (USAN/INN); SCHEMBL13199500; CHEMBL1184904; SCHEMBL12251507; ZINC43128334; AN-27116; D09375; Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-; 17 AAGH2

Indication

Disease Entry	ICD 11	Status	REF
Non-small-cell lung cancer	2C25.Y	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C31H45N3O8
Canonical SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)C)OC)OC(=O)N)C)C)O)OC
InChI: 1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
InChIKey: OAKGNIRUXAZDQF-TXHRRWQRSA-N

Cross-matching ID

PubChem CID: 11534420
ChEBI ID: CHEBI:71975
CAS Number: 857402-23-4
TTD ID: D0EG5A

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 800021934)