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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2036807
CHEMBL2036807
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H40N8

Additional synonyms for CHEMBL2036807 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]1CC[C@@H](Cn2nc(c3ccc(cc3)N4CCNCC4)c5cnc(NCCCc6ccccc6 ...
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Standard InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-3 ...
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Standard InChI Key FAOUZNFWHWLTIC-YOCNBXQISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2036807

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
524.7 524.3376 4.47 9 96.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 1 8 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.47 4.11 .38 4 39 0.28

Structural Alerts

There are 1 structural alerts for CHEMBL2036807. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FAOUZNFWHWLTIC-YOCNBXQISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2036807



BindingDB 50384584
SureChEMBL SCHEMBL14755093

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