Details of the Drug

General Information of Drug (ID: DM2LBFW)

Drug Name
3-Hydroxyhippuric acid
Synonyms
3-hydroxyhippuric acid; m-Hydroxyhippuric acid; 1637-75-8; (3-Hydroxybenzoylamino)acetic acid; 2-[(3-hydroxyphenyl)formamido]acetic acid; Glycine, N-(3-hydroxybenzoyl)-; UNII-17HCX0HNRT; N-m-Hydroxylbenzoylglycine; 3-Hydroxybenzoylglycine; 17HCX0HNRT; CHEMBL447627; Glycine,N-(3-hydroxybenzoyl)-; (3-hydroxybenzamido)acetic acid; CHEBI:70824; m-Hydroxyhippurate; 3-Hydroxyhippurate; AC1L9OTS; (3-hydroxybenzoyl)glycine; AC1Q75XZ; N-(3-hydroxybenzoyl)glycine; SCHEMBL600772; CTK4D1647; DTXSID30167650; MolPort-004-292-678
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) 195.17
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H9NO4
IUPAC Name
2-[(3-hydroxybenzoyl)amino]acetic acid
Canonical SMILES
C1=CC(=CC(=C1)O)C(=O)NCC(=O)O
InChI
InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChIKey
XDOFWFNMYJRHEW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
450268
ChEBI ID
CHEMBL70824
CAS Number
1637-75-8
UNII
17HCX0HNRT
DrugBank ID
DB07069
TTD ID
D05JZS
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Kynureninase (KYNU) TTWQM3J KYNU_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.