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Compound Detail

CHEMBL170120

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CCCCCCCC/C=C\CCCCCCC/C=C1/C[C@](/C=C/C(=O)OC)(CO)OC1=O

Basic Information

ChEMBL ID CHEMBL170120
Phase Preclinical
Structure Type MOL
InChI Key YUTZKTSDQCEUQO-ZGTHDJBKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
6.36
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.11
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H44O5
MW 448.64
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.37

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 11.0 nM 7.96 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