Compound Detail
CHEMBL440201
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CCCCCCCCC#Cc1ccc2c(c1)[C@](C)(C(C)C)[C@H]1C(=O)N[C@H](CO)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL440201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLYPYTHLYUUKMT-GWZVJQKXSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
4.91
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C gamma type CHEMBL2938 | Ki | 6.55 | 6.55 | 279.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | Ki | 6.33 | 6.33 | 469.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 6.24 | 6.24 | 580.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | Ki | 6.15 | 6.15 | 701.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 5.79 | 5.79 | 1630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C gamma type | Ki | = | 279.0 | nM | 6.55 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C epsilon type | Ki | = | 469.0 | nM | 6.33 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C alpha type | Ki | = | 580.0 | nM | 6.24 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C beta type | Ki | = | 701.0 | nM | 6.15 | Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant ... | 11327599 |
| Protein kinase C delta type | Ki | = | 1630.0 | nM | 5.79 | 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