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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL387152
CHEMBL387152
Compound Name
ChEMBL Synonyms NSC-88915
Max Phase 0
Trade Names
Molecular Formula C27H33BrO5S

Additional synonyms for CHEMBL387152 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C ...
Download SMILES
Standard InChI InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9- ...
Download InChI
Standard InChI Key ZQNARVKYKGBJES-YNHSGCSHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL387152

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
549.5 548.1232 5.5 5 85.89 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 5 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.08 5.08 1 34 0.45

Structural Alerts

There are 18 structural alerts for CHEMBL387152. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZQNARVKYKGBJES-YNHSGCSHSA-N
PubChem SID: 396351

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL387152



ACToR 21170-34-3
BindingDB 50158383
Brenda 56906 193735
PubChem 259210
PubChem: Thomson Pharma 56325273
SureChEMBL SCHEMBL13856957
ZINC ZINC000004901407

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