Compound Detail
CHEMBL2046624
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Basic Information
| ChEMBL ID | CHEMBL2046624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZBJTZXFZCERBJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
1.09
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | Ki | 6.79 | 6.79 | 164.0 | 2 |
| Protein kinase C delta type CHEMBL2996 | Ki | 6.59 | 6.59 | 255.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | Ki | 6.37 | 6.37 | 428.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | Ki | = | 164.0 | nM | 6.79 | Inhibition of PKCtheta | 22738630 |
| Protein kinase C theta type | Ki | = | 164.0 | nM | 6.79 | Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQ... | 23398373 |
| Protein kinase C delta type | Ki | = | 255.0 | nM | 6.59 | Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate aft... | 23398373 |
| Protein kinase C alpha type | Ki | = | 428.0 | nM | 6.37 | Inhibition of PKC alpha (unknown origin) using RRRRRKGSFKRKA as substrate after ... | 23398373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738630 | 10.1016/j.bmcl.2012.05.114 | Caco-2 | 2 |
| 22738630 | 10.1016/j.bmcl.2012.05.114 | Protein kinase C theta type | 1 |
| 23398373 | 10.1021/jm301465a | Protein kinase C alpha type | 1 |
| 23398373 | 10.1021/jm301465a | Protein kinase C delta type | 1 |
| 23398373 | 10.1021/jm301465a | Protein kinase C theta type | 1 |
Data from ChEMBL 36 via Core Engine