Details of the Drug

General Information of Drug (ID: DMXD697)

• Drug Name: (1-Amino-3-phenyl-propyl)-phosphinic acid
• Synonyms: SCHEMBL11199485

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); 197.17
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H12NO2P
  IUPAC Name: 3-phenylpropanimidoylphosphonous acid
  Canonical SMILES: C1=CC=C(C=C1)CCC(=N)P(O)O
  InChI: InChI=1S/C9H12NO2P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
  InChIKey: YDYGVRIQAWAHCJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 91931115
  TTD ID: D00KIV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aminopeptidase N (ANPEP)	TTPHMWB	AMPN_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Aminopeptidase N (ANPEP)	DTT	ANPEP	8.84E-07	-0.3	-0.71

References

• [1] Design of the first highly potent and selective aminopeptidase N (EC 3.4.11.2) inhibitor. Bioorg Med Chem Lett. 1999 Jun 7;9(11):1511-6.