Details of the Drug

General Information of Drug (ID: DMV0MHI)

Drug Name
EP-7041
Synonyms QPVLDUCHRPJGCJ-QBIMZIAESA-N; SCHEMBL16998942
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 402.5
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H30N4O4
IUPAC Name
(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1R)-1-cyclooctylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
Canonical SMILES
C[C@H](C1CCCCCCC1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)O
InChI
InChI=1S/C21H30N4O4/c1-13(15-7-5-3-2-4-6-8-15)24-21(29)25-18(20(27)28)16(19(25)26)11-14-9-10-23-17(22)12-14/h9-10,12-13,15-16,18H,2-8,11H2,1H3,(H2,22,23)(H,24,29)(H,27,28)/t13-,16-,18+/m1/s1
InChIKey
QPVLDUCHRPJGCJ-QBIMZIAESA-N
Cross-matching ID
PubChem CID
91827409
TTD ID
D07LPT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor XI (F11) TTJCPUT FA11_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)