Details of the Drug

General Information of Drug (ID: DM1KPEH)

Drug Name

Ro-09-1428

Synonyms

Ro-09-1428; 134452-47-4; Ro 09-1428; 7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((2-(2-(3,4-dihydroxybenzoyl)hydrazino)-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyramidin-7-yl)thi

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C31H31N11O10S3
Canonical SMILES: CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)C6=CSC(=N6)N)SC3)C(=O)O)CO
InChI: InChI=1S/C31H31N11O10S3/c1-12-6-19(42-30(33-12)35-18(8-43)39-42)53-9-14-10-54-26-21(25(48)41(26)22(14)27(49)50)36-24(47)20(15-11-55-29(32)34-15)40-52-31(2,3)28(51)38-37-23(46)13-4-5-16(44)17(45)7-13/h4-7,11,21,26,43-45H,8-10H2,1-3H3,(H2,32,34)(H,36,47)(H,37,46)(H,38,51)(H,49,50)/b40-20+
InChIKey: CCOFMFVZORWSAE-KPRPFPDJSA-N

Cross-matching ID

PubChem CID: 9576896
CAS Number: 134452-47-4
TTD ID: D03OFA

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 800000531)