Details of the Drug

General Information of Drug (ID: DMFUABI)

• Drug Name: 1-aminohexylphosphonic acid
• Synonyms: (1-Aminohexyl)phosphonic acid; 1-aminohexylphosphonic Acid; 63207-60-3; CHEMBL40508; 109638-78-0; ACMC-20mcgx; AC1MC01Z; SCHEMBL625939; CTK6D6935; DTXSID70370060; 1-AMINOHEXYL PHOSPHONIC ACID; Phosphonic acid, P-(1-aminohexyl)-; AKOS015892987; DB-054431; FT-0640877

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 181.17
  Logarithm of the Partition Coefficient (xlogp); -2.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C6H16NO3P
  IUPAC Name: 1-aminohexylphosphonic acid
  Canonical SMILES: CCCCCC(N)P(=O)(O)O
  InChI: InChI=1S/C6H16NO3P/c1-2-3-4-5-6(7)11(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)
  InChIKey: ODMTWOKJHVPSLP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2733961
  CAS Number: 109638-78-0
  TTD ID: D03JAL

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.