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
  ChEBI ID: CHEMBL321130
  CAS Number: 628262-82-8
  DrugBank ID: DB06919
  TTD ID: D0O1DU
• 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
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.