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Compound Detail

CHEMBL173130

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CCCCCCC/C=C\CCCCCCC/C=C1\C[C@](/C=C/C(=O)OC)(CO)OC1=O

Basic Information

ChEMBL ID CHEMBL173130
Phase Preclinical
Structure Type MOL
InChI Key QNDHPPBOABGOEM-UEICPYPDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
5.97
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.13
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H42O5
MW 434.62
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.41

Activity Summary

Ki 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 20.0 nM 7.7 Binding Affinity against protein kinase C alpha 10715158

Literature References

PubMed DOI Target Context # Activities
10715158 10.1021/jm9904607 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine