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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2163926
CHEMBL2163926
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30N2O3

Additional synonyms for CHEMBL2163926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@@H]1COc2cccc3C(=O)C(=CN1c23)C(=O)NC45CC6CC(CC(C6)C4) ...
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Standard InChI InChI=1S/C25H30N2O3/c1-14(2)20-13-30-21-5-3-4-18-22(21)27(20 ...
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Standard InChI Key LGGAKUPXXCXLLZ-ILGMOKPNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2163926

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
406.5 406.2256 4.29 3 60.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.04 - 3.35 3.35 2 30 0.83

Structural Alerts

There are 3 structural alerts for CHEMBL2163926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LGGAKUPXXCXLLZ-ILGMOKPNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2163926



BindingDB 50395140
PubChem 60194936
ZINC ZINC000095552928

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