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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2036809
CHEMBL2036809
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H31FN6

Additional synonyms for CHEMBL2036809 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]1CC[C@@H](Cn2nc(c3ccc(F)cc3)c4cnc(NCCCc5ccccc5)nc24)C ...
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Standard InChI InChI=1S/C27H31FN6/c28-22-12-10-21(11-13-22)25-24-17-31-27(3 ...
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Standard InChI Key VXENEMCDVCFWGW-JKIUYZKVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2036809

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
458.6 458.2594 5.19 8 81.65 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.47 5.62 2.85 4 34 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL2036809. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VXENEMCDVCFWGW-JKIUYZKVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2036809



BindingDB 50384585
SureChEMBL SCHEMBL14755117

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