ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL61483
CHEMBL61483
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H27N3O3S

Additional synonyms for CHEMBL61483 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc2[C@@H]3CN(CCN4C(=O)Nc5c(csc5C4=O)c6ccccc6)C[C@@H]3C ...
Download SMILES
Standard InChI InChI=1S/C27H27N3O3S/c1-33-23-9-5-8-19-20(23)11-10-18-14-29( ...
Download InChI
Standard InChI Key VMZJRPSZTYTUEY-GHTZIAJQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL61483

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
473.6 473.1773 4.09 5 67.33 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.17 9.15 4.75 3.06 4 34 0.47

Structural Alerts

There are no structural alerts for CHEMBL61483

Compound Cross References

ChemSpider ChemSpider:VMZJRPSZTYTUEY-GHTZIAJQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL61483



BindingDB 50100216
Nikkaji J1.565.091E
PubChem 10504673
PubChem: Thomson Pharma 15529672
ZINC ZINC000013863015

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