Details of the Drug

General Information of Drug (ID: DMRCM5O)

Drug Name
(4-Hydroxy-phenoxy)-acetic acid
Synonyms
1878-84-8; 4-Hydroxyphenoxyacetic acid; (4-Hydroxyphenoxy)acetic acid; 2-(4-Hydroxyphenoxy)acetic acid; 4-Hydroxypheoxyacetate; Acetic acid, (4-hydroxyphenoxy)-; (4-Hydroxy-phenoxy)-acetic acid; Acetic acid, 2-(4-hydroxyphenoxy)-; CHEBI:1881; CHEMBL297343; P-HYDROXYPHENOXYACETIC ACID; PKGWLCZTTHWKIZ-UHFFFAOYSA-N; MFCD00014362; (4-Hydroxyphenoxy)acetic acid, 98%; Acetic acid, (p-hydroxyphenoxy)-; EINECS 217-525-8; 4-(Carboxymethoxy)phenol; AC1L26TI; ACMC-1CC13; (4-Hydroxyphenoxy)aceticAcid; SCHEMBL274850; AC1Q766A
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) 168.15
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H8O4
IUPAC Name
2-(4-hydroxyphenoxy)acetic acid
Canonical SMILES
C1=CC(=CC=C1O)OCC(=O)O
InChI
InChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey
PKGWLCZTTHWKIZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15881
ChEBI ID
CHEMBL1881
CAS Number
1878-84-8
TTD ID
D0B7WF
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hydroxyphenylpyruvate dioxygenase (HPD) TT8DSFC HPPD_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, and evaluation of postulated transient intermediate and substrate analogues as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Bioorg Med Chem Lett. 2002 Jul 8;12(13):1709-13.