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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285133
CHEMBL285133
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H40ClN3O6

Additional synonyms for CHEMBL285133 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCC(CC1)C(=O)N(CCc2ccc3OCOc3c2)C[C@H](O)[C@H](Cc4ccccc4)N ...
Download SMILES
Standard InChI InChI=1S/C34H40ClN3O6/c1-37-15-13-26(14-16-37)34(41)38(17-12 ...
Download InChI
Standard InChI Key WHPHUMUDKVGQBX-KYJUHHDHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285133

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
622.2 621.2606 3.95 13 100.57 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 8.86 5.2 3.83 3 44 0.3

Structural Alerts

There are 1 structural alerts for CHEMBL285133. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WHPHUMUDKVGQBX-KYJUHHDHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285133



BindingDB 50076291
Brenda 114569
IBM Patent System F5370EC1620BA771EF55D9B052D2F210
Nikkaji J1.081.909A
PubChem 9895330
PubChem: Thomson Pharma 14863111
ZINC ZINC000029227853

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