Compound Detail
CHEMBL173348
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
CCCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@@](C)(C(C)C)[C@H]1C(=O)N[C@H](CO)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL173348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXONMVAMARNSJO-GTVIQNQPSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.7
MW (Da)
5.63
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | Ki | 6.64 | 6.64 | 228.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | Ki | 6.49 | 6.49 | 327.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 6.17 | 6.17 | 674.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | Ki | 5.98 | 5.98 | 1052.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 150.0 | nM | 6.82 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C epsilon type | Ki | = | 228.0 | nM | 6.64 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C gamma type | Ki | = | 327.0 | nM | 6.49 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C alpha type | Ki | = | 674.0 | nM | 6.17 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C beta type | Ki | = | 1052.0 | nM | 5.98 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327599 | 10.1016/s0960-894x(01)00097-x | Protein kinase C alpha type | 1 |
| 11327599 | 10.1016/s0960-894x(01)00097-x | Protein kinase C beta type | 1 |
| 11327599 | 10.1016/s0960-894x(01)00097-x | Protein kinase C gamma type | 1 |
| 11327599 | 10.1016/s0960-894x(01)00097-x | Protein kinase C delta type | 1 |
| 11327599 | 10.1016/s0960-894x(01)00097-x | Protein kinase C epsilon type | 1 |
Data from ChEMBL 36 via Core Engine