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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392909
CHEMBL2392909
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31ClN8O3

Additional synonyms for CHEMBL2392909 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NC(=O)CCCN2CCNCC2)c3ccccc3)c1Cl)c4ccc(cn4)[ ...
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Standard InChI InChI=1S/C26H31ClN8O3/c1-18-24(27)26(33-25(31-18)21-10-9-20( ...
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Standard InChI Key GANWDTIDWJRKEZ-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392909

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
539 538.2208 3.36 11 138.21 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.21 2.37 .56 3 38 0.25

Structural Alerts

There are 5 structural alerts for CHEMBL2392909. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GANWDTIDWJRKEZ-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392909



BindingDB 50435208
PubChem 71603237
PubChem: Thomson Pharma 163684543
ZINC ZINC000096271227

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