Compound Detail
CHEMBL4647780
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Basic Information
| ChEMBL ID | CHEMBL4647780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXJGOKZAFCPPSJ-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.57
ALogP
5
HBA
3
HBD
75.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.29 | 9.29 | 0.5 | 1 |
| Protein kinase C zeta type CHEMBL3438 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.519 | nM | 9.29 | Inhibition of PKA (unknown origin) | 32551607 |
| Protein kinase C zeta type | IC50 | = | 3.4 | nM | 8.47 | Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFK substrate and... | 32551607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Unchecked | 2 |
| 32551607 | 10.1021/acs.jmedchem.0c00449 | Protein kinase C zeta type | 1 |
Data from ChEMBL 36 via Core Engine