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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285527
CHEMBL285527
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13NO3S

Additional synonyms for CHEMBL285527 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Standard InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(1 ...
Download InChI
Standard InChI Key FWEOQOXTVHGIFQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL285527

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
299.3 299.0616 3.62 3 74.78 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.98 - .72 -1.69 3 21 0.72

Structural Alerts

There are 4 structural alerts for CHEMBL285527. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FWEOQOXTVHGIFQ-UHFFFAOYSA-N
PubChem SID: 124896729 SID: 47193709
Wikipedia 8-Anilinonaphthalene-1-sulfonic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285527



ACToR 82-76-8 54784-66-6
BindingDB 50126831
ChEBI 39708
DrugBank DB04474
eMolecules 481490
EPA CompTox Dashboard DTXSID7058882
FDA SRS 630I4V6051
Human Metabolome Database HMDB61854
IBM Patent System F5513A45B681098B246D93C21074FDE4
KEGG Ligand C11326
Mcule MCULE-5203091991
MolPort MolPort-001-792-040
Nikkaji J4.618C
NMRShiftDB 20208017
PDBe 2AN
PubChem 1369
PubChem: Thomson Pharma 14849498
SureChEMBL SCHEMBL43158

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