Compound Detail
CHEMBL141496
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Basic Information
| ChEMBL ID | CHEMBL141496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSHIQQZTKBZJLZ-ZHACJKMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
5.78
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N9 CHEMBL613516 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N9 | IC50 | = | 8700.0 | nM | 5.06 | Inhibitory activity against TNF-alpha release in N9 cells in the supernatant | 12361395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361395 | 10.1021/jm020102v | Rattus norvegicus | 8 |
| 12361395 | 10.1021/jm020102v | RAW264.7 | 2 |
| 12361395 | 10.1021/jm020102v | N9 | 1 |
Data from ChEMBL 36 via Core Engine