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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1338248
CHEMBL1338248
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25N5O7S

Additional synonyms for CHEMBL1338248 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1nn(C)c2c(O)nc(nc12)c3cc(ccc3OCC)S(=O)(=O)Nc4ccc(O)c(c4) ...
Download SMILES
Standard InChI InChI=1S/C24H25N5O7S/c1-4-6-17-20-21(29(3)27-17)23(31)26-22( ...
Download InChI
Standard InChI Key HQWXZTRYIWULAX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1338248

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
527.6 527.1475 3.29 9 176.76 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 4 1 12 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.81 9.84 3.75 .2 4 37 0.24

Structural Alerts

There are 3 structural alerts for CHEMBL1338248. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HQWXZTRYIWULAX-UHFFFAOYSA-N
PubChem SID: 26669411

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1338248



BindingDB 54115
eMolecules 4398267
Guide to Pharmacology 8829
Mcule MCULE-6138313678
MolPort MolPort-001-737-283 MolPort-006-817-420
PubChem 1899750
PubChem: Thomson Pharma 140105787
ZINC ZINC000002274417

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