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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL321936
CHEMBL321936
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H35N3O7

Additional synonyms for CHEMBL321936 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@H](C)NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C) ...
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Standard InChI InChI=1S/C28H35N3O7/c1-18(2)15-23(31-28(36)38-17-21-13-9-6-1 ...
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Standard InChI Key PCOGTOLPOHQMSX-PMOQBDJRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL321936

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
525.6 525.2475 2.3 13 139.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.31 - 4.24 4.24 2 38 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL321936. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PCOGTOLPOHQMSX-PMOQBDJRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL321936



BindingDB 50039999
PubChem 44330982
ZINC ZINC000026741993

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