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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203438
CHEMBL2203438
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H34N6O4

Additional synonyms for CHEMBL2203438 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1onc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(CC4)C5CC5)cn3) ...
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Standard InChI InChI=1S/C28H34N6O4/c1-28(2,3)24-16-25(33-38-24)32-27(36)31- ...
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Standard InChI Key BHXZFEQWQQPISU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203438

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
518.6 518.2642 5.27 7 121.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 10 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 8.66 2.76 1.48 3 38 0.39

Structural Alerts

There are no structural alerts for CHEMBL2203438

Compound Cross References

ChemSpider ChemSpider:BHXZFEQWQQPISU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203438



BindingDB 50400605
PubChem 54759297
PubChem: Thomson Pharma 163513160
SureChEMBL SCHEMBL1698609
ZINC ZINC000095559855

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