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Compound Detail

CHEMBL170464

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CCCC(=O)OCC1(CO)C/C(=C/CC(C(C)C)C(C)C)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170464
Phase Preclinical
Structure Type MOL
InChI Key SHABOUXXWAZWRG-NVNXTCNLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
3.25
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.52
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 C19H32O5
MW 340.46
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.47

Activity Summary

Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 19.0 nM 7.72 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