Details of the Drug

General Information of Drug (ID: DM6DFTX)

• Drug Name: BDBM50434164
• Synonyms: CHEMBL2385272; SCHEMBL15129855; BDBM50434164
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 342.8
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H15ClN4O2
  IUPAC Name: 7-chloro-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
  Canonical SMILES: C1C[C@H](N(C1)C(=O)CNC(=O)C2=C3C=CC(=CC3=NC=C2)Cl)C#N
  InChI: InChI=1S/C17H15ClN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)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: NERXNBIHCGOYFQ-LBPRGKRZSA-N
• Cross-matching ID:
  PubChem CID: 73356493
  TTD ID: D0C6NX

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]

References

• [1] FAP inhibitors. US9346814.