Compound Detail
CHEMBL4435004
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Basic Information
| ChEMBL ID | CHEMBL4435004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVHXPJZZHRXUIL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
2.63
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.26
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C theta type CHEMBL3920 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C theta type | Ki | = | 9.0 | nM | 8.05 | Inhibition of human recombinant full length His tagged PKC theta expressed in ba... | 31417666 |
| PBMC | IC50 | = | 550.0 | nM | 6.26 | Inhibition of IL-2 secretion from human PBMC cells stimulated with anti-CD3/CD28... | 31417666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31417666 | 10.1021/acsmedchemlett.9b00134 | Unchecked | 2 |
| 31417666 | 10.1021/acsmedchemlett.9b00134 | Protein kinase C theta type | 1 |
| 31417666 | 10.1021/acsmedchemlett.9b00134 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine