Details of the Drug

General Information of Drug (ID: DM471P5)

Drug Name
4-hydroxybenzaldehyde
Synonyms
4-hydroxybenzaldehyde; p-Hydroxybenzaldehyde; 123-08-0; 4-Formylphenol; p-Formylphenol; p-Oxybenzaldehyde; Benzaldehyde, 4-hydroxy-; Parahydroxybenzaldehyde; Benzaldehyde, p-hydroxy-; 4-HYDROXY-BENZALDEHYDE; USAF M-6; 4-Hydroxy benzaldehyde; NSC 2127; p-Hydroxy-benzaldehyde; UNII-O1738X3Y38; Para-Hydroxybenzaldehyde; 4-Hydroxybenzenecarbonal; EINECS 204-599-1; BRN 0471352; CHEMBL14193; AI3-15366; PARA-HYDROXY BENZALDEHYDE; CHEBI:17597; RGHHSNMVTDWUBI-UHFFFAOYSA-N; MFCD00006939; O1738X3Y38; 4-Hydroxybenzaldehyde, 99%; Benzaldehyde, 4-
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) 122.12
Topological Polar Surface Area (xlogp) 1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C7H6O2
IUPAC Name
4-hydroxybenzaldehyde
Canonical SMILES
C1=CC(=CC=C1C=O)O
InChI
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey
RGHHSNMVTDWUBI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
126
ChEBI ID
CHEBI:17597
CAS Number
123-08-0
DrugBank ID
DB03560
TTD ID
D00BRD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA transaminase (ABAT) TTT2LD9 GABT_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inactivation of GABA transaminase by 3-chloro-1-(4-hydroxyphenyl)propan-1-one. Bioorg Med Chem Lett. 2009 Feb 1;19(3):731-4.
2 Novel monoamine oxidase inhibitors: a patent review (2012 - 2014).Expert Opin Ther Pat. 2015 Jan;25(1):91-110.
3 DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6.
4 Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
5 Clinical pipeline report, company report or official report of Catalyst Pharma.
6 Phase II clinical trial of K-828-AB for treating behavioral and psychological symptoms of dementia. Kowa Co. Ltd.
7 Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. Bioorg Med Chem Lett. 2006 Feb;16(3):592-5.
8 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
9 Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17.
10 Limitation of adipose tissue enlargement in rats chronically treated with semicarbazide-sensitive amine oxidase and monoamine oxidase inhibitors. Pharmacol Res. 2008 Jun;57(6):426-34.
11 Tranylcypromine: new perspectives on an "old" drug. Eur Arch Psychiatry Clin Neurosci. 2006 Aug;256(5):268-73.
12 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2490).
13 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
14 Glyceraldehyde-3-phosphate dehydrogenase-monoamine oxidase B-mediated cell death-induced by ethanol is prevented by rasagiline and 1-R-aminoindan. Neurotox Res. 2009 Aug;16(2):148-59.
15 Novel monoamine oxidase inhibitors, 3-(2-aminoethoxy)-1,2-benzisoxazole derivatives, and their differential reversibility. Jpn J Pharmacol. 2002 Feb;88(2):174-82.
16 Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8.
17 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
18 Multiple mechanisms of action: the pharmacological profile of budipine. J Neural Transm Suppl. 1999;56:83-105.