Details of the Drug

General Information of Drug (ID: DML6UJM)

• Drug Name: 1-aminohexylphosphonic acid monophenyl ester
• Synonyms: 1-aminohexylphosphonic acid monophenyl ester; CHEMBL1093531

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); 257.269
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H20NO3P
  IUPAC Name: 1-aminohexyl(phenoxy)phosphinic acid
  Canonical SMILES: CCCCCC(N)P(=O)(O)OC1=CC=CC=C1
  InChI: InChI=1S/C12H20NO3P/c1-2-3-5-10-12(13)17(14,15)16-11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10,13H2,1H3,(H,14,15)
  InChIKey: DHJINNDLWRRCRC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46886335
  TTD ID: D04XBZ

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.