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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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.