Compound Detail
CHEMBL4642061
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Basic Information
| ChEMBL ID | CHEMBL4642061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLYQNZYLNRAMFN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
4.02
ALogP
4
HBA
3
HBD
66.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 7.89 | 13.0 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 6.12 | 6.12 | 762.0 | 1 |
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 |
| Serine/threonine-protein kinase D2 | IC50 | = | 762.0 | nM | 6.12 | Inhibition of PKD2 (unknown origin) | 32551607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Protein kinase C zeta type | 1 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Serine/threonine-protein kinase D2 | 1 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine