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Compound Detail

CHEMBL2096883

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CC(C)CC(CC=C1OC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2096883
Phase Preclinical
Structure Type MOL
InChI Key FNAVULFGMYGNQE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.82
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H36O6
MW 384.51
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.90

Activity Summary

Ki 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2567
 Ki 8.19 8.19 6.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 6.41 nM 8.19 Displacement of [3H]PDBu from mouse recombinant PKCalpha expressed in Escherichi... 17591763

Literature References

PubMed DOI Target Context # Activities
17591763 10.1021/jm0702579 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine