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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL544
CHEMBL544
Compound Name MEQUINOL
ChEMBL Synonyms NOVO-DERMOQUINONA | HQMME; HYDROXYQUINONE METHYL ETHER | 4HA | 4-HYDROXYANISOLE | 4-METHOXYPHENOL | MECHINOLUM | P-GUAIACOL | MENTHYL ANTHRANILATE | BMS-181158 | MEQUINOL | LEUCOBASAL | P-HYDROXYANISOLE | LEUCODINE B
Max Phase 4 (Approved)
Trade Names
Molecular Formula C7H8O2

Additional synonyms for CHEMBL544 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(O)cc1
Standard InChI InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
Standard InChI Key NWVVVBRKAWDGAB-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL544

Molecule Features

CHEMBL544 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tyrosinase inhibitor Tyrosinase FDA

Clinical Data

ClinicalTrials.gov MEQUINOL
The Cochrane Collaboration MEQUINOL

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
124.1 124.0524 1.4 1 29.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.4 - 1.35 1.35 1 9 0.61

Structural Alerts

There are no structural alerts for CHEMBL544

Compound Cross References

ATC D - DERMATOLOGICALS
D11 - OTHER DERMATOLOGICAL PREPARATIONS
D11A - OTHER DERMATOLOGICAL PREPARATIONS
D11AX - Other dermatologicals
D11AX06 - mequinol

ChemSpider ChemSpider:NWVVVBRKAWDGAB-UHFFFAOYSA-N
PubChem SID: 144204676 SID: 144209565 SID: 144213193 SID: 170464687 SID: 17389832 SID: 50105587 SID: 71152 SID: 85272557
Wikipedia Mequinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL544



ACToR 150-76-5
Brenda 149291 11207 21790 49544 15906 44239 2538 108408 7486 53704 25434
ChEBI 69441
ChemicalBook CB1268120 CB7853133
DrugBank DB09516
DrugCentral 4221
eMolecules 518971
EPA CompTox Dashboard DTXSID4020828
FDA SRS 6HT8U7K3AM
Guide to Pharmacology 6827
Human Metabolome Database HMDB0029696
IBM Patent System 4987D7D4D26B128BF5FCDE721A24A02F
Mcule MCULE-7494596350
Metabolights MTBLC69441
MolPort MolPort-000-145-974
Nikkaji J2.031A
NMRShiftDB 10009217
PDBe 4KS
PubChem 9015
PubChem: Thomson Pharma 15321300
Selleck mequinol
SureChEMBL SCHEMBL21009
ZINC ZINC000000001684

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NWVVVBRKAWDGAB-UHFFFAOYSA-N spacer
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