Details of the Drug

General Information of Drug (ID: DMBV5Z0)

Drug Name
CRWCYVOHVXAEMF-LBPRGKRZSA-N
Synonyms CHEMBL2385270; SCHEMBL15138926; CRWCYVOHVXAEMF-LBPRGKRZSA-N; BDBM50434166; (S)-N-(2-(2-Cyanopyrrolidine-1-yl)-2-oxoethyl)-6-fluoroquinoline-4-carboxamide
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.32
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H15FN4O2
IUPAC Name
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-fluoroquinoline-4-carboxamide
Canonical SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)C2=C3C=C(C=CC3=NC=C2)F)C#N
InChI
InChI=1S/C17H15FN4O2/c18-11-3-4-15-14(8-11)13(5-6-20-15)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1
InChIKey
CRWCYVOHVXAEMF-LBPRGKRZSA-N
Cross-matching ID
PubChem CID
71667229
ChEBI ID
CHEMBL2385270
TTD ID
D0QX2U
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
Dipeptidyl-peptidase 7 (DPP7) TTOYT5L DPP2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FAP inhibitors. US9346814.