Details of the Drug

General Information of Drug (ID: DMDTYJ9)

• Drug Name: BDBM50434165
• Synonyms: CHEMBL2385271; SCHEMBL15129912; BDBM50434165
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 338.4
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H18N4O3
  IUPAC Name: N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide
  Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(=O)NCC(=O)N3CCC[C@H]3C#N
  InChI: InChI=1S/C18H18N4O3/c1-25-13-4-5-16-15(9-13)14(6-7-20-16)18(24)21-11-17(23)22-8-2-3-12(22)10-19/h4-7,9,12H,2-3,8,11H2,1H3,(H,21,24)/t12-/m0/s1
  InChIKey: YPWQFVMQCFSLCP-LBPRGKRZSA-N
• Cross-matching ID:
  PubChem CID: 71667377
  ChEBI ID: CHEMBL2385271
  TTD ID: D07JHU
• 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]

References

• [1] FAP inhibitors. US9346814.