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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203428
CHEMBL2203428
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H33N7O3

Additional synonyms for CHEMBL2203428 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(Cc2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3)C ...
Download SMILES
Standard InChI InChI=1S/C26H33N7O3/c1-26(2,3)22-15-23(31-36-22)30-25(35)29- ...
Download InChI
Standard InChI Key YBJQFWOWWBZCJS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203428

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
491.6 491.2645 4.01 6 115.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 10 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.61 7.49 1.8 1.45 3 36 0.48

Structural Alerts

There are no structural alerts for CHEMBL2203428

Compound Cross References

ChemSpider ChemSpider:YBJQFWOWWBZCJS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203428



BindingDB 50400603
PubChem 54761676
PubChem: Thomson Pharma 131525785
SureChEMBL SCHEMBL1698654
ZINC ZINC000095560151

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