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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24461
CHEMBL24461
Compound Name
ChEMBL Synonyms BMS-193884
Max Phase 0
Trade Names
Molecular Formula C20H17N3O4S

Additional synonyms for CHEMBL24461 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1noc(NS(=O)(=O)c2ccccc2c3ccc(cc3)c4occn4)c1C
Standard InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6 ...
Download InChI
Standard InChI Key LJGUZUROJOJEMI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL24461

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
395.4 395.094 4.41 5 98.23 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.04 .5 3.26 1.93 4 28 0.54

Structural Alerts

There are 1 structural alerts for CHEMBL24461. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LJGUZUROJOJEMI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24461



BindingDB 50091105
FDA SRS 7ON53PV45J
IBM Patent System 0F724446D7EA212442DD40541968851C
Nikkaji J1.382.564E
PubChem 9843631
PubChem: Thomson Pharma 14805468
SureChEMBL SCHEMBL4204130

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