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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1836164
CHEMBL1836164
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H32N2O6

Additional synonyms for CHEMBL1836164 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(Cc3ccc(OC)cc3)CC1
Standard InChI InChI=1S/C25H32N2O6/c1-30-20-7-5-18(6-8-20)16-27-11-9-25(10- ...
Download InChI
Standard InChI Key QVJDTMWTEMTFAP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1836164

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
456.5 456.226 2.9 9 86.33 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.6 2.92 2.51 2 33 0.58

Structural Alerts

There are 2 structural alerts for CHEMBL1836164. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QVJDTMWTEMTFAP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1836164



BindingDB 50354179
PubChem 56666254
ZINC ZINC000072123371

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