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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285177
CHEMBL285177
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H42ClN3O5

Additional synonyms for CHEMBL285177 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc3cccc(Cl)c3)C( ...
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Standard InChI InChI=1S/C34H42ClN3O5/c1-37-18-16-27(17-19-37)34(41)38(20-15 ...
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Standard InChI Key LWVIQLICDZHOEY-ACHIHNKUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285177

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
608.2 607.2813 4.23 14 91.34 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 8.86 5.24 3.87 3 43 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL285177. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LWVIQLICDZHOEY-ACHIHNKUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285177



BindingDB 50076292
Brenda 114570
IBM Patent System C8506149DE0FAC9B19404C6DD1911838
Nikkaji J1.081.910E
PubChem 9960476
PubChem: Thomson Pharma 14936297
ZINC ZINC000029225105

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