Details of the Drug

General Information of Drug (ID: DM6ZOW4)

• Drug Name: PMID3941405C3d
• Synonyms: GTPL8622; BDBM50026017

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 203.24
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C11H13N3O
  IUPAC Name: 2-amino-N-(1-cyano-2-phenylethyl)acetamide
  Canonical SMILES: C1=CC=C(C=C1)CC(C#N)NC(=O)CN
  InChI: InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)
  InChIKey: QLVGHFBUSGYCCG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11241135
  TTD ID: D0IV5D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dipeptidyl peptidase I (CTSC)	TT4H0V2	CATC_HUMAN	Inhibitor	[1]

References

• [1] Carboxyl-modified amino acids and peptides as protease inhibitors. J Med Chem. 1986 Jan;29(1):104-11.