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Compound Detail

CHEMBL137484

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CC(C)CC(C/C=C1\CC(CO)(COC(=O)C(C)(C)C)NC1=O)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137484
Phase Preclinical
Structure Type MOL
InChI Key CUMCOFXCIXYDDR-GIJQJNRQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.6
MW (Da)
3.85
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.47
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 C22H39NO4
MW 381.56
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.71

Activity Summary

Ki 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 5.32 5.32 4840.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 4840.0 nM 5.32 Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovir... 11728178

Literature References

PubMed DOI Target Context # Activities
11728178 10.1021/jm0103965 No relevant target 1
11728178 10.1021/jm0103965 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine