Details of the Drug

General Information of Drug (ID: DMGD7JM)

• Drug Name: D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
• Synonyms: D-Phenylalanyl-N-(3-Chlorobenzyl)-L-Prolinamide; CHEMBL321130; CHEMBL599035; 628262-82-8; 22U; CTK1I8953; DTXSID70648418; BDBM50133531; BDBM50307858; DB06919; D-Phenylalanyl-N-[(3-chlorophenyl)methyl]-L-prolinamide; L-Prolinamide, D-phenylalanyl-N-[(3-chlorophenyl)methyl]-; N-(3-Chlorobenzyl)-1-[(2R)-2-amino-3-phenylpropionyl]-L-prolinamide; (S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid 3-chloro-benzylamide; (S)-1-((R)-2-amino-3-phenylpropanoyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide hydrochlo

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); 385.9
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H24ClN3O2
  IUPAC Name: (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
  Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)NCC3=CC(=CC=C3)Cl
  InChI: InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1
  InChIKey: CJHLRGCXPGIPCB-MOPGFXCFSA-N
• Cross-matching ID:
  PubChem CID: 25011732
  CAS Number: 628262-82-8
  DrugBank ID: DB06919
  TTD ID: D0O1DU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.