Details of the Drug

General Information of Drug (ID: DMP8A5R)

Drug Name
example 373 [WO2012093101]
Synonyms CHEMBL2180765; example 373 [WO2012093101]; GTPL8296; SCHEMBL19210538; BDBM50400274
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 524.9
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C25H22ClFN6O4
IUPAC Name
(1R,3S,5R)-2-N-[1-carbamoyl-5-(cyanomethoxy)indol-3-yl]-3-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
Canonical SMILES
C1[C@H]2[C@@H]1N([C@@H](C2)C(=O)NCC3=C(C(=CC=C3)Cl)F)C(=O)NC4=CN(C5=C4C=C(C=C5)OCC#N)C(=O)N
InChI
InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1
InChIKey
SOCAXRLFGRNEPK-IFZYUDKTSA-N
Cross-matching ID
PubChem CID
57412074
ChEBI ID
CHEMBL2180765
TTD ID
D04MIN
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Complement factor D (CFD) TT8D13I CFAD_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Factor D Inhibitors for the Treatment of AMD: Patent Highlight. ACS Med Chem Lett. 2012 Aug 27;3(10):781-2.