Details of the Drug

General Information of Drug (ID: DMJL8QZ)

• Drug Name: (1-Amino-3-methylsulfanyl-propyl)-phosphinic acid
• Synonyms: METHIONINE PHOSPHINATE; (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID; MPJ; AC1O4QJ4; SCHEMBL4316253; ZINC29326788; DB04015; [(1R)-1-amino-3-methylsulfanylpropyl]-hydroxy-oxophosphanium; (R)-[(1R)-1-amino-3-(methylsulfanyl)propyl]phosphinic acid

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); 168.18
  Logarithm of the Partition Coefficient (xlogp); -0.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C4H11NO2PS+
  IUPAC Name: [(1R)-1-amino-3-methylsulfanylpropyl]-hydroxy-oxophosphanium
  Canonical SMILES: CSCC[C@H](N)[P+](=O)O
  InChI: InChI=1S/C4H10NO2PS/c1-9-3-2-4(5)8(6)7/h4H,2-3,5H2,1H3/p+1/t4-/m1/s1
  InChIKey: BSTOZABDPPHMGK-SCSAIBSYSA-O
• Cross-matching ID:
  PubChem CID: 6398483
  DrugBank ID: DB04015
  TTD ID: D0EG8X

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.