Compound Detail
CHEMBL4635482
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Basic Information
| ChEMBL ID | CHEMBL4635482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTJHXOPWIGBYGG-KRWDZBQOSA-N |
2
Targets
4
Activities
1
Assay Types
6
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.18
ALogP
4
HBA
3
HBD
63.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 10.68 | 10.68 | 0.0 | 1 |
| Protein kinase C zeta type CHEMBL3438 | IC50 | 10.0 | 9.1167 | 0.1 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 138.49 | ng.hr.mL-1 | Mus musculus |
| CL | 52.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 261.0 | nM | Mus musculus |
| T1/2 | 1.74 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Vd | 6.63 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.021 | nM | 10.68 | Inhibition of PKA (unknown origin) | 32551607 |
| Protein kinase C zeta type | IC50 | = | 0.1 | nM | 10.0 | Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFK substrate and... | 32551607 |
| Protein kinase C zeta type | IC50 | = | 0.1 | nM | 10.0 | Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate... | 34928151 |
| Protein kinase C zeta type | IC50 | = | 45.0 | nM | 7.35 | 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 | 7 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Mus musculus | 4 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Protein kinase C zeta type | 2 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Unchecked | 2 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Tyrosine-protein kinase Fyn | 1 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | BDNF/NT-3 growth factors receptor | 1 |
| 34928151 | 10.1021/acs.jmedchem.1c01803 | Protein kinase C zeta type | 1 |
Data from ChEMBL 36 via Core Engine