Compound Detail
CHEMBL3800310
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Basic Information
| ChEMBL ID | CHEMBL3800310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXNZKXXQSCODGG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
3.19
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.37 | 7.57 | 4.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | IC50 | = | 4.3 | nM | 8.37 | Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in bacu... | 27117263 |
| Protein kinase C theta type | IC50 | = | 170.0 | nM | 6.77 | Inhibition of PKCtheta in human Jurkat cells after overnight incubation by lumin... | 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