Compound Detail
CHEMBL171989
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Basic Information
| ChEMBL ID | CHEMBL171989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMQTXFIGONDPFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
0.65
ALogP
8
HBA
0
HBD
88.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | IC50 | = | 5000.0 | nM | 5.3 | TNF-alpha production in PBMC by ELISA method | 8568809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568809 | 10.1021/jm940845j | Tumor necrosis factor | 1 |
Data from ChEMBL 36 via Core Engine