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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL488279
CHEMBL488279
Compound Name PRONTOSIL
ChEMBL Synonyms Prontosil
Max Phase 0
Trade Names
Molecular Formula C12H13N5O2S

Additional synonyms for CHEMBL488279 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(N=Nc2ccc(cc2)S(=O)(=O)N)c(N)c1
Standard InChI InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5 ...
Download InChI
Standard InChI Key ABBQGOCHXSPKHJ-WUKNDPDISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL488279

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
291.3 291.079 1.41 3 145.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.61 2.85 .78 .78 2 20 0.58

Structural Alerts

There are 11 structural alerts for CHEMBL488279. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ABBQGOCHXSPKHJ-WUKNDPDISA-N
Wikipedia Prontosil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL488279



Brenda 66803
ChEBI 8464
DrugCentral 3561
EPA CompTox Dashboard DTXSID60145608
KEGG Ligand C07573
Nikkaji J8.625H
PubChem: Thomson Pharma 14922530
SureChEMBL SCHEMBL155099

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