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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL376135
CHEMBL376135
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H33N5O4

Additional synonyms for CHEMBL376135 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]c(n2)C3CCCCC3)NC(=O)[C@ ...
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Standard InChI InChI=1S/C23H33N5O4/c24-20(30)19-7-4-10-28(19)23(32)18(27-22 ...
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Standard InChI Key WDSXKLORUSKPMN-SNRMKQJTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL376135

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
443.5 443.2533 0.79 7 138.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.67 7.27 -1.4 -1.79 1 32 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL376135. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDSXKLORUSKPMN-SNRMKQJTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL376135



BindingDB 50196452
PubChem 44422115
ZINC ZINC000028641106

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