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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL611958
CHEMBL611958
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H26N4O2

Additional synonyms for CHEMBL611958 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CN1CCN(CC1)c2ccccc2)N3CCc4cccc5C(=O)NCC3c45
Standard InChI InChI=1S/C23H26N4O2/c28-21(16-25-11-13-26(14-12-25)18-6-2-1- ...
Download InChI
Standard InChI Key ZBARAZMYBWKCDU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL611958

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
390.5 390.2056 1.93 3 55.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.78 1.11 1.08 2 29 0.87

Structural Alerts

There are no structural alerts for CHEMBL611958

Compound Cross References

ChemSpider ChemSpider:ZBARAZMYBWKCDU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL611958



BindingDB 50306266
PubChem 24772065
PubChem: Thomson Pharma 49694055

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