Details of the Drug

General Information of Drug (ID: DMZNFT2)

• Drug Name: Phenylalanylmethane
• Synonyms: PHENYLALANYLMETHANE; 2-Butanone, 3-amino-4-phenyl-, (S)-; 52735-74-7; AC1NRCRL; SCHEMBL4379939; SCHEMBL1436467; CTK1G2192; DTXSID60415353; ZINC5883734; (3S)-3-amino-4-phenylbutan-2-one; AKOS006340967

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); 163.22
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C10H13NO
  IUPAC Name: (3S)-3-amino-4-phenylbutan-2-one
  Canonical SMILES: CC(=O)[C@H](CC1=CC=CC=C1)N
  InChI: InChI=1S/C10H13NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,10H,7,11H2,1H3/t10-/m0/s1
  InChIKey: RTUDQBPZFFIRAD-JTQLQIEISA-N
• Cross-matching ID:
  PubChem CID: 5289150
  CAS Number: 52735-74-7
  TTD ID: D0F3CS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Chymase (CYM)	TT8VUE0	CMA1_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
Chymase (CYM)	DTT	CMA1	3.36E-05	-0.62	-3.21

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.