Compound Detail
CHEMBL4644763
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Basic Information
| ChEMBL ID | CHEMBL4644763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAVZVAORORKNHF-KRWDZBQOSA-N |
1
Targets
3
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
3.52
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C zeta type CHEMBL3438 | IC50 | 7.89 | 6.96 | 13.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 54.71 | ng.hr.mL-1 | Mus musculus |
| Cmax | 102.0 | nM | Mus musculus |
| T1/2 | 1.5 | hr | Mus musculus |
| Tmax | 0.8 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C zeta type | IC50 | = | 13.0 | nM | 7.89 | Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFK substrate and... | 32551607 |
| Protein kinase C zeta type | IC50 | = | 13.0 | nM | 7.89 | Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate... | 34928151 |
| Protein kinase C zeta type | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of PKCzeta in human THP1 cells assessed as reduction in LPS-induced T... | 32551607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551607 | 10.1021/acs.jmedchem.0c00449 | ADMET | 6 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Protein kinase C zeta type | 2 |
| 34928151 | 10.1021/acs.jmedchem.1c01803 | Protein kinase C zeta type | 1 |
Data from ChEMBL 36 via Core Engine