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]
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) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
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
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]
Molecular Interaction Atlas (MIA) 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.