Compound Detail
CHEMBL4082370
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Basic Information
| ChEMBL ID | CHEMBL4082370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AICHKJMBUHVCCJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.9
MW (Da)
1.96
ALogP
7
HBA
2
HBD
88.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 10.07 | 10.07 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 0.086 | nM | 10.07 | Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in bacu... | 28400232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28400232 | 10.1016/j.bmcl.2017.03.099 | Protein kinase C theta type | 1 |
Data from ChEMBL 36 via Core Engine