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Compound Detail

CHEMBL425676

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CCCCC/C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL425676
Phase Preclinical
Structure Type MOL
InChI Key SJBCBDAKOWZLGU-YVLHZVERSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.03
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H36O5
MW 368.51
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.69

Activity Summary

Ki 1 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 8.14 8.14 7.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 7.3 nM 8.14 Binding Affinity against protein kinase C alpha 10715158

Literature References

PubMed DOI Target Context # Activities
10715158 10.1021/jm9904607 Protein kinase C alpha type 2
10715158 10.1021/jm9904607 C3H 10T1/2 1

Data from ChEMBL 36 via Core Engine