Compound Detail
CHEMBL2393423
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Basic Information
| ChEMBL ID | CHEMBL2393423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEHPOCNINSGWET-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.58
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.3
EC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Protein kinase C zeta type CHEMBL3438 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Protein kinase C iota type CHEMBL2598 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Protein kinase C zeta type CHEMBL3438 | IC50 | 5.22 | 4.9 | 6000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1.0 | nM | 9.0 | Inhibition of atypical PKCzeta in bovine retinal endothelial cells assessed as T... | 23566515 |
| Protein kinase C zeta type | EC50 | = | 3.0 | nM | 8.52 | Inhibition of atypical PKCzeta in HEK293 cells assessed as TNF-induced NFkappaB ... | 23566515 |
| Protein kinase C iota type | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of atypical PKCiota (unknown origin) using CREBtide as substrate incu... | 23566515 |
| Protein kinase C zeta type | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of atypical PKCzeta (unknown origin) using CREBtide as substrate incu... | 23566515 |
| Protein kinase C zeta type | IC50 | = | 6000.0 | nM | 5.22 | Luminescence-Based Kinase Assay: IC50 values were determined using an in vitro l... | - |
| Protein kinase C zeta type | IC50 | = | 20000.0 | nM | 4.7 | Kinase-Glo End-Point Assay: The IC50 values for PKCl-diMeO and compounds describ... | - |
| Protein kinase C zeta type | IC50 | = | 35000.0 | nM | 4.46 | Luminescence-Based Kinase Assay: IC50 values were determined using an in vitro l... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566515 | 10.1016/j.bmcl.2013.03.019 | Protein kinase C zeta type | 4 |
| 23566515 | 10.1016/j.bmcl.2013.03.019 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23566515 | 10.1016/j.bmcl.2013.03.019 | Protein kinase C iota type | 1 |
| 23566515 | 10.1016/j.bmcl.2013.03.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine