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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL74075
CHEMBL74075
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H41N3O7

Additional synonyms for CHEMBL74075 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C ...
Download SMILES
Standard InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33 ...
Download InChI
Standard InChI Key ALIXZKUBHDEEGT-AEDUHMMZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL74075

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
507.6 507.2945 2.44 14 154.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 1 10 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.17 - 4.27 1.15 1 36 0.26

Structural Alerts

There are 4 structural alerts for CHEMBL74075. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ALIXZKUBHDEEGT-AEDUHMMZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL74075



BindingDB 50012623
PubChem 44313645

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