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Compound Detail

CHEMBL292719

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O=C1OCC2O[C@@H](O)C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O

Basic Information

ChEMBL ID CHEMBL292719
Phase Preclinical
Structure Type MOL
InChI Key IYMHVUYNBVWXKH-RAUQCYNJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

784.5
MW (Da)
0.67
ALogP
22
HBA
13
HBD
377.4
PSA (Ų)
0.07
QED
3
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C34H24O22
MW 784.54
Aromatic Rings 4
Heavy Atoms 56
NP-Likeness 0.96

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 4000.0 nM 5.4 Inhibitory activity against protein kinase C of rat brain 8289196

Literature References

PubMed DOI Target Context # Activities
8289196 10.1021/jm00027a025 Protein kinase C (PKC) 2
8289196 10.1021/jm00027a025 Unchecked 1

Data from ChEMBL 36 via Core Engine