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Compound Detail

CHEMBL506390

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CCCCC(CC)C(=O)OCC1(CO)C/C(=C/c2ccc(Cl)c(F)c2)C(=O)O1

Basic Information

ChEMBL ID CHEMBL506390
Phase Preclinical
Structure Type MOL
InChI Key ZNLUECRWFKKEBI-SXGWCWSVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
4.30
ALogP
5
HBA
1
HBD
72.8
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 C21H26ClFO5
MW 412.89
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.32

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2567
Ki 8.0 8.0 10.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 10.1 nM 8.0 Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting 18698758

Literature References

PubMed DOI Target Context # Activities
18698758 10.1021/jm8001907 Protein kinase C alpha type 1
18698758 10.1021/jm8001907 Transcription factor Jun 1
18698758 10.1021/jm8001907 Unchecked 1

Data from ChEMBL 36 via Core Engine