General Information of Drug (ID: DMPDCIY)

Drug Name
LFF571
Indication
Disease Entry ICD 11 Status REF
Clostridium infection 1A04 Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Chemical Identifiers
Formula
C60H63N13O13S6
Canonical SMILES
CC1=C2C(=O)NC(C3=NC(=C(S3)COC)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)N(CCCCC(=O)O)C(=O)OC8CCC(CC8)C(=O)O)C9=NC(=CS9)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C1=CC=CC=C1)O)C(C)C
InChI
1S/C60H63N13O13S6/c1-28(2)44-58-72-47(39(92-58)23-85-5)51(80)62-22-42(75)69-48(49(78)30-11-7-6-8-12-30)57-67-38(26-89-57)55-65-36(24-88-55)46-33(53-66-37(25-87-53)50(79)64-35(21-41(74)61-4)56-71-45(29(3)91-56)52(81)70-44)18-19-34(63-46)54-68-40(27-90-54)73(20-10-9-13-43(76)77)60(84)86-32-16-14-31(15-17-32)59(82)83/h6-8,11-12,18-19,24-28,31-32,35,44,48-49,78H,9-10,13-17,20-23H2,1-5H3,(H,61,74)(H,62,80)(H,64,79)(H,69,75)(H,70,81)(H,76,77)(H,82,83)/t31?,32?,35-,44-,48-,49-/m0/s1
InChIKey
GNLYKLDXQZHYTR-QWSGWXDSSA-N
Cross-matching ID
PubChem CID
42638236
CAS Number
1160959-55-6
TTD ID
D08VWO

References

1 ClinicalTrials.gov (NCT01232595) Safety and Efficacy of Multiple Daily Dosing of Oral LFF571 in Patients With Moderate Clostridium Difficile Infections. U.S. National Institutes of Health.