Details of the Drug

General Information of Drug (ID: DMOVQ1T)

• Drug Name: (S)-2-Amino-4-methylsulfanyl-butane-1-thiol
• Synonyms: CHEMBL36661; (S)-2-Amino-4-methylsulfanyl-butane-1-thiol; 1-Butanethiol, 2-amino-4-(methylthio)-, (2S)-; SCHEMBL7164846; PC-18; BDBM50078128; 139428-86-7

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); 151.3
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C5H13NS2
  IUPAC Name: (2S)-2-amino-4-methylsulfanylbutane-1-thiol
  Canonical SMILES: CSCC[C@@H](CS)N
  InChI: InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
  InChIKey: NSPBTQHSHXESOT-YFKPBYRVSA-N
• Cross-matching ID:
  PubChem CID: 22885599
  TTD ID: D0GI9S

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.