Compound Detail
CHEMBL2172298
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Basic Information
| ChEMBL ID | CHEMBL2172298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AINNLKCYXDROLD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.65
ALogP
6
HBA
1
HBD
111.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.41 | 4.41 | 38800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 38800.0 | nM | 4.41 | Inhibition of TNFalpha-induced human NFkappaB activity in HEK293 cells incubated... | 22712432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22712432 | 10.1021/jm3006806 | Unchecked | 2 |
| 22712432 | 10.1021/jm3006806 | Retinoic acid receptor RXR-alpha | 1 |
| 22712432 | 10.1021/jm3006806 | COS-1 | 1 |
| 22712432 | 10.1021/jm3006806 | HEK293 | 1 |
| 23472886 | 10.1021/jm400026k | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine