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
Structure
3D MOL 2D MOL
#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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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