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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL388978
CHEMBL388978
Compound Name STAUROSPORINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H26N4O3

Additional synonyms for CHEMBL388978 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c ...
Download SMILES
Standard InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18- ...
Download InChI
Standard InChI Key HKSZLNNOFSGOKW-FYTWVXJKSA-N

Sources

  • BindingDB Database
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL388978

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
466.5 466.2005 4.35 2 69.45 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.97 5.27 3.71 5 35 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL388978. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HKSZLNNOFSGOKW-FYTWVXJKSA-N
PubChem SID: 125299371 SID: 134959007 SID: 172131318 SID: 26755744 SID: 26755745

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL388978



ACToR 109189-95-9
Atlas staurosporine
BindingDB 2579
Brenda 152034 886
ChEBI 15738
DrugBank DB02010
eMolecules 30154559 715670
FDA SRS H88EPA0A3N
Guide to Pharmacology 346
IBM Patent System 3F937B8F7301AECA1F56AA9B201E40D1
LINCS LSM-1103
Metabolights MTBLC15738
MolPort MolPort-004-963-434 MolPort-046-424-776
Nikkaji J445.409J
PDBe STU
PubChem 44259
PubChem: Drugs of the Future 22395183
PubChem: Thomson Pharma 14760668
Selleck Staurosporine
SureChEMBL SCHEMBL8157
ZINC ZINC000003814434

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