ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152590
CHEMBL152590
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33N3O3

Additional synonyms for CHEMBL152590 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cccc(c1)C2=Nc3ccccc3C(=O)N2CCN4CCc5cc(OC)c(OC)cc5C4
Standard InChI InChI=1S/C30H33N3O3/c1-4-8-21-9-7-10-23(17-21)29-31-26-12-6- ...
Download InChI
Standard InChI Key ZWPGIWZXXUHJCV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL152590

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
483.6 483.2522 5.86 8 54.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.14 4.68 3.67 3 36 0.4

Structural Alerts

There are no structural alerts for CHEMBL152590

Compound Cross References

ChemSpider ChemSpider:ZWPGIWZXXUHJCV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152590



BindingDB 50109786
Nikkaji J1.700.216C
PubChem 44369110
ZINC ZINC000013438282

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