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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL183766
CHEMBL183766
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26N6O4S2

Additional synonyms for CHEMBL183766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1sc(Nc2nc(NC)c3CCN(Cc4ccc(cc4)S(=O)(=O)C)c3n2)nc1C
Standard InChI InChI=1S/C22H26N6O4S2/c1-5-32-20(29)17-13(2)24-22(33-17)27-2 ...
Download InChI
Standard InChI Key BAJNVJUBAWVWEZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL183766

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
502.6 502.1457 3.17 8 126.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 2 2 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.38 2.48 2.48 3 34 0.44

Structural Alerts

There are 2 structural alerts for CHEMBL183766. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BAJNVJUBAWVWEZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL183766



IBM Patent System 8CA2F09E573CACFAAFE337C24394E79A
PubChem 10458731
PubChem: Thomson Pharma 15480595
SureChEMBL SCHEMBL2206988
ZINC ZINC000028351120

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