Details of the Drug

General Information of Drug (ID: DMUP4KP)

Drug Name
Ro-09-1227
Synonyms SR-1024
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C31H29N11O11S3
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)C(=O)O
InChI
InChI=1S/C31H29N11O11S3/c1-11-6-17(42-30(33-11)36-21(39-42)27(50)51)54-8-13-9-55-25-19(24(47)41(25)20(13)26(48)49)35-23(46)18(14-10-56-29(32)34-14)40-53-31(2,3)28(52)38-37-22(45)12-4-5-15(43)16(44)7-12/h4-7,10,19,25,43-44H,8-9H2,1-3H3,(H2,32,34)(H,35,46)(H,37,45)(H,38,52)(H,48,49)(H,50,51)/b40-18+/t19-,25-/m1/s1
InChIKey
KLYNTNRELYHTCT-MRANZGMHSA-N
Cross-matching ID
PubChem CID
9589382
TTD ID
D0ZV1F

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 800001133)