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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL240963
CHEMBL240963
Compound Name LAWSONE
ChEMBL Synonyms NSC-8625 | 2-Hydroxynaphthoquinone | Lawsone
Max Phase 0
Trade Names
Molecular Formula C10H6O3

Additional synonyms for CHEMBL240963 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1=CC(=O)c2ccccc2C1=O
Standard InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
Standard InChI Key CSFWPUWCSPOLJW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL240963

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
174.2 174.0317 1.22 0 54.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.31 - 1.89 -1.06 1 13 0.64

Structural Alerts

There are 8 structural alerts for CHEMBL240963. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CSFWPUWCSPOLJW-UHFFFAOYSA-N
PubChem SID: 26749851 SID: 50107733
Wikipedia Lawsone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL240963



ACToR 83-72-7
BindingDB 50049066
ChEBI 44401
eMolecules 539195
EPA CompTox Dashboard DTXSID2025428
FDA SRS TLH4A6LV1W
KEGG Ligand C10368
Mcule MCULE-8698811000
MolPort MolPort-000-726-184
Nikkaji J4.642F
NMRShiftDB 20143612
PDBe NQ
PubChem: Thomson Pharma 15339758
SureChEMBL SCHEMBL16541
ZINC ZINC000004632115

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