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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:1881
CAS Number: 1878-84-8
TTD ID: D0B7WF

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.