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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.