General Information of Drug (ID: DM10MKG)

Drug Name
F-991
Synonyms Asthma therapeutic, Fornix; Immunoglobulin light chain antagonist, Fornix; Inflammatory bowel disease therapeutic, Fornix; Multiple sclerosis therapeutic, Fornix
Indication
Disease Entry ICD 11 Status REF
Allergic skin disorder 4A82 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C43H60N14O11S2
Canonical SMILES
CC(C)CC(C(=O)O)NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(CO)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CN=CN4)NC(=O)C(C)N
InChI
1S/C43H60N14O11S2/c1-21(2)8-31(43(67)68)54-41(65)33(17-69)57-42(66)34(18-70)56-39(63)29(10-24-13-45-19-49-24)51-35(59)15-48-37(61)32(16-58)55-38(62)28(9-23-12-47-27-7-5-4-6-26(23)27)53-40(64)30(52-36(60)22(3)44)11-25-14-46-20-50-25/h4-7,12-14,19-22,28-34,47,58,69-70H,8-11,15-18,44H2,1-3H3,(H,45,49)(H,46,50)(H,48,61)(H,51,59)(H,52,60)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,67,68)/t22-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
BWCARSGBKSFOCL-OSTURJEUSA-N
Cross-matching ID
PubChem CID
10290602
CAS Number
188193-59-1
TTD ID
D02ZLM

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 800022093)