Compound Detail
CHEMBL4856178
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Basic Information
| ChEMBL ID | CHEMBL4856178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXKSMXUHBNRXFZ-BGYRXZFFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.74
ALogP
7
HBA
3
HBD
106.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 90.0 | nM | 7.05 | Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide i... | 34355886 |
| Protein kinase C delta type | IC50 | = | 90.0 | nM | 7.05 | Inhibition of PKA-delta (unknown origin) using Fam-labelled S6-derived peptide i... | 34355886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34355886 | 10.1021/acs.jmedchem.1c00388 | ADMET | 2 |
| 34355886 | 10.1021/acs.jmedchem.1c00388 | Protein kinase C theta type | 1 |
| 34355886 | 10.1021/acs.jmedchem.1c00388 | Protein kinase C delta type | 1 |
Data from ChEMBL 36 via Core Engine