Compound Detail
CHEMBL3798787
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Basic Information
| ChEMBL ID | CHEMBL3798787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWMNGOSHFBCVEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.41
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 170.0 | nM | 6.77 | Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in bacu... | 27117263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27117263 | 10.1016/j.bmc.2016.04.008 | Protein kinase C theta type | 2 |
Data from ChEMBL 36 via Core Engine