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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

Structural Alerts

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

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

Compound Cross References

ChemSpider ChemSpider:ABBQGOCHXSPKHJ-WUKNDPDISA-N
Wikipedia Prontosil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL488279



ChEBI 8464
DSSTox DTXSID60145608
KEGG Ligand C07573
Nikkaji J8.625H
PubChem: Thomson Pharma 14922530
SureChEMBL SCHEMBL155099
ZINC ZINC04097405

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