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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2036806
CHEMBL2036806
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H38N8

Additional synonyms for CHEMBL2036806 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNc1ncc2c(nn(C[C@@H]3CC[C@@H](N)CC3)c2n1)c4ccc(cc4)N5CCNC ...
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Standard InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11- ...
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Standard InChI Key KSZDMKRJEQNXAQ-XUTJKUGGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2036806

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
462.7 462.3219 3.63 8 96.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.47 2.85 -.85 3 34 0.44

Structural Alerts

There are 1 structural alerts for CHEMBL2036806. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KSZDMKRJEQNXAQ-XUTJKUGGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2036806



BindingDB 50384583
SureChEMBL SCHEMBL14755005

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