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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292646
CHEMBL292646
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H34N6O3

Additional synonyms for CHEMBL292646 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CC1NCCc2ccccc12)NNC(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NCCc5cc ...
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Standard InChI InChI=1S/C31H34N6O3/c38-29(19-27-24-11-5-4-10-22(24)15-17-32 ...
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Standard InChI Key GMQWNNZLXYAXAF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292646

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
538.7 538.2692 3.05 9 127.15 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 6 2 9 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.37 8.95 3.83 2.27 4 40 0.18

Structural Alerts

There are 8 structural alerts for CHEMBL292646. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GMQWNNZLXYAXAF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292646



BindingDB 50127551
PubChem 44300413

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