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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL377465
CHEMBL377465
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H44N8O4

Additional synonyms for CHEMBL377465 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc2ccccc2)C(=O)N3C[C@H ...
Download SMILES
Standard InChI InChI=1S/C36H44N8O4/c1-24(45)42-32(18-29-20-39-23-41-29)34(4 ...
Download InChI
Standard InChI Key NSMUITYTUDRYSP-ZWDYZTTJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL377465

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
652.8 652.3486 2.58 15 180.82 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 1 12 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.39 13.52 3.11 1.03 4 48 0.07

Structural Alerts

There are 5 structural alerts for CHEMBL377465. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NSMUITYTUDRYSP-ZWDYZTTJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL377465



BindingDB 50191569
PubChem 11845450
ZINC ZINC000049776384

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