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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL379168
CHEMBL379168
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H44N6O3

Additional synonyms for CHEMBL379168 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)NCCC[C@H]1C[C@@H](CN1C(=O)[C@@H](Cc2ccccc2)NC(=O)C3Cc4 ...
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Standard InChI InChI=1S/C38H44N6O3/c39-38(40)41-18-8-15-32-22-33(47-25-27-1 ...
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Standard InChI Key GBTCAHLJDYHAKJ-BOYZONONSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL379168

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
632.8 632.3475 4.03 12 132.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 1 9 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 13.52 4.94 2.53 4 47 0.09

Structural Alerts

There are 6 structural alerts for CHEMBL379168. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GBTCAHLJDYHAKJ-BOYZONONSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL379168



BindingDB 50191557
PubChem 44413828

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