Details of the Drug

General Information of Drug (ID: DMBHUKV)

Drug Name

Methyl L-phenylalaninate

Synonyms

Methyl 2-amino-3-phenylpropanoate; 15028-44-1; Methyl 3-phenyl-DL-alaninate; H-DL-Phe-OMe HCl; DL-phenylalanine methyl ester; VSDUZFOSJDMAFZ-UHFFFAOYSA-N; 2-Amino-3-phenyl-propionic acid methyl ester; phenylalanine, methyl ester; F2147-0643; l-phe methyl ester; EINECS 239-109-5; AC1L2PEY; Phenylalanine, methylester; AC1Q41SQ; AC1Q41SP; AC1Q41RL; SCHEMBL74887; D,L-phenylalanine methyl ester; DL-Phenylalanine, methyl ester; Methyl L-phenylalaninate (HCl); CTK4C6579; STK019373; MFCD00044582; NSC522409; BBL009783; AKOS016042462

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

179.22

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H13NO2
IUPAC Name: methyl (2S)-2-amino-3-phenylpropanoate
Canonical SMILES: COC(=O)[C@H](CC1=CC=CC=C1)N
InChI: InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChIKey: VSDUZFOSJDMAFZ-VIFPVBQESA-N

Cross-matching ID

PubChem CID: 736234
ChEBI ID: CHEBI:49339
CAS Number: 2577-90-4
UNII: 10AT497I17
DrugBank ID: DB06838
TTD ID: D0I8WD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.