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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL483065
CHEMBL483065
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H26N6O6S

Additional synonyms for CHEMBL483065 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C(=O)Nc2nc([nH]c2C1=O)c3ccc(cc3)S(=O)(=O)N4CCN(Cc5ccc6OC ...
Download SMILES
Standard InChI InChI=1S/C25H26N6O6S/c1-2-31-24(32)21-23(28-25(31)33)27-22(2 ...
Download InChI
Standard InChI Key ODKIIRGGBWEQPE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL483065

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
538.6 538.1635 2.19 6 145.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 12 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.37 5.24 3.83 1.84 3 38 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL483065. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ODKIIRGGBWEQPE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL483065



BindingDB 50268210
PubChem 44186718
PubChem: Thomson Pharma 85182136
ZINC ZINC000049872267

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