Details of the Drug

General Information of Drug (ID: DMMV30B)

• Drug Name: 1-aminopentylphosphonic acid monophenyl ester
• Synonyms: CHEMBL1090367; 1-aminopentylphosphonic acid monophenyl ester

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); 243.24
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H18NO3P
  IUPAC Name: 1-aminopentyl(phenoxy)phosphinic acid
  Canonical SMILES: CCCCC(N)P(=O)(O)OC1=CC=CC=C1
  InChI: InChI=1S/C11H18NO3P/c1-2-3-9-11(12)16(13,14)15-10-7-5-4-6-8-10/h4-8,11H,2-3,9,12H2,1H3,(H,13,14)
  InChIKey: WRTBDONQGQRUNP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46886334
  TTD ID: D0RH4S

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] New aromatic monoesters of alpha-aminoaralkylphosphonic acids as inhibitors of aminopeptidase N/CD13. Bioorg Med Chem. 2010 Apr 15;18(8):2930-6.