Compound Detail
CHEMBL80843
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Basic Information
| ChEMBL ID | CHEMBL80843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INRHIERIYYTNDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.8
MW (Da)
4.02
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| ICOS-ICOSL CHEMBL5482971 | IC50 | 4.51 | 4.51 | 31040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit alpha | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against IkappaB kinase(IKK) isolated from HeLa cells activat... | 12824047 |
| ICOS-ICOSL | IC50 | = | 31040.0 | nM | 4.51 | Inhibition of C-terminal IgG1 Fc region fused human ICOS extracellular domain (1... | 37731692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12824047 | 10.1016/s0960-894x(03)00408-6 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 12824047 | 10.1016/s0960-894x(03)00408-6 | Casein kinase II | 1 |
| 12824047 | 10.1016/s0960-894x(03)00408-6 | cAMP-dependent protein kinase (PKA) | 1 |
| 12824047 | 10.1016/s0960-894x(03)00408-6 | Protein kinase C (PKC) | 1 |
| 37731692 | 10.1039/d3md00150d | ICOS-ICOSL | 1 |
Data from ChEMBL 36 via Core Engine