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Compound Detail

CHEMBL370130

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CC(C)CC(C/C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=S)CC(C)C

Basic Information

ChEMBL ID CHEMBL370130
Phase Preclinical
Structure Type MOL
InChI Key WEAXGDQVWHPARP-GIJQJNRQSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
5.08
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H38O4S
MW 398.61
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.92

Activity Summary

Ki 3 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C delta type
CHEMBL2996
Ki 8.5 7.63 3.1 2
Protein kinase C alpha type
CHEMBL299
Ki 7.62 7.62 23.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16134942 10.1021/jm050352m Protein kinase C delta type 2
16134942 10.1021/jm050352m Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine