Details of the Drug

General Information of Drug (ID: DMAUH96)

Drug Name
alpha-methylphenylalanine
Synonyms
alpha-Methyl-DL-phenylalanine; 1132-26-9; 2-amino-2-methyl-3-phenylpropanoic acid; 2-Amino-2-methyl-3-phenylpropionic acid; alpha-Methylphenylalanine; H--Me-DL-Phe-OH; HYOWVAAEQCNGLE-UHFFFAOYSA-N; alpha-Methyl-DL-phenylalanine, 98%; MFCD00010512; Phenylalanine, alpha-methyl-; 2-amino-2-methyl-3-phenyl-propanoic acid; 2-Methylphenylalanine #; D,L-Phe(alphaMe)-OH; a-methyl-dl-phenylalanine; alpha-me-dl-phenylalanine; Methylphenylalanine, alpha; H-DL-(ME)PHE-OH; dl-alpha-methylphenylalanine; ACMC-1AH59
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 179.22
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H13NO2
IUPAC Name
2-amino-2-methyl-3-phenylpropanoic acid
Canonical SMILES
CC(CC1=CC=CC=C1)(C(=O)O)N
InChI
InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
InChIKey
HYOWVAAEQCNGLE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
108055
CAS Number
1132-26-9
TTD ID
D08URY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phenylalanine hydroxylase (PAH) TTGSVH2 PH4H_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5093).
2 Alpha-methylphenylalanine, a new inducer of chronic hyperphenylalaninemia in sucling rats. Science. 1976 Jun 4;192(4243):1007-8.