Details of the Drug

General Information of Drug (ID: DMGVELK)

Drug Name
L-Tyrosinamide
Synonyms ACMC-20muar; 131948-41-9; L-Tyrosinamide,(4R)-4-hydroxy-1-(1H-indol-3-ylcarbonyl)-L-prolyl-N-methyl-N-(phenylmethyl)-(9CI)
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) 180.2
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H12N2O2
IUPAC Name
(2S)-2-amino-3-(4-hydroxyphenyl)propanamide
Canonical SMILES
C1=CC(=CC=C1C[C@@H](C(=O)N)N)O
InChI
InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1
InChIKey
PQFMNVGMJJMLAE-QMMMGPOBSA-N
Cross-matching ID
PubChem CID
151243
ChEBI ID
CHEBI:21412
CAS Number
4985-46-0
DrugBank ID
DB03380
TTD ID
D0DO9W

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuropeptide Y (NPY) TT64REZ NPY_HUMAN Inhibitor [1]
Valacyclovir hydrolase (BPHL) TTTZ3EU BPHL_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.