Compound Detail
CHEMBL57517
DIOLEIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C/CCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL57517 |
| Name | DIOLEIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFSHUZFNMVJNKX-BIJVAZSDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
621.0
MW (Da)
11.51
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.04
QED
2
Ro5 Violations
34
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2213 | Ki | 7.06 | 7.06 | 87.2 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 7.06 | 7.06 | 87.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 87.2 | nM | 7.06 | Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalp... | 11384235 |
| Protein kinase C alpha type | Ki | = | 87.2 | nM | 7.06 | Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha | 10762046 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384235 | 10.1021/jm010052e | No relevant target | 1 |
| 11384235 | 10.1021/jm010052e | Protein kinase C alpha type | 1 |
| 10762046 | 10.1016/s0960-894x(00)00070-6 | Protein kinase C alpha type | 1 |
| 10762046 | 10.1016/s0960-894x(00)00070-6 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine