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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL538867
CHEMBL538867
Compound Name SARIDEGIB
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H48N2O3S

Additional synonyms for CHEMBL538867 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC[C@@H]6C[ ...
Download SMILES
Standard InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)1 ...
Download InChI
Standard InChI Key HZLFFNCLTRVYJG-WWGOJCOQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL538867

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
504.8 504.3386 4.36 2 75.81 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.85 9.67 7.08 4.86 0 35 0.55

Structural Alerts

There are 2 structural alerts for CHEMBL538867. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HZLFFNCLTRVYJG-WWGOJCOQSA-N
Wikipedia IPI-926

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL538867



BindingDB 50293788
DrugBank DB12655
EPA CompTox Dashboard DTXSID40146032
FDA SRS JT96FPU35X
Guide to Pharmacology 8198
IBM Patent System 5C1FD55A76B67D67D4C956C103A51C7C
Nikkaji J2.907.863G
PubChem 25027363
PubChem: Thomson Pharma 56378080
SureChEMBL SCHEMBL421999
ZINC ZINC000043197072

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