Compound Detail
CHEMBL4176576
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Basic Information
| ChEMBL ID | CHEMBL4176576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLXPXRIHKFQMEJ-OAMUUVBCSA-N |
2
Targets
4
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.2
MW (Da)
4.46
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.43
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peritoneal macrophage CHEMBL5314330 | IC50 | 5.43 | 5.405 | 3710.0 | 2 |
| Lymphocyte antigen 96 CHEMBL2375202 | IC50 | 5.38 | 5.38 | 4220.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 5860.0 | 1/Ms | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peritoneal macrophage | IC50 | = | 3710.0 | nM | 5.43 | Antiinflammatory activity in ICR mouse primary peritoneal macrophages assessed a... | 28858767 |
| Lymphocyte antigen 96 | IC50 | = | 4220.0 | nM | 5.38 | Displacement of bis-ANS to recombinant human MD2 after 5 mins by fluorescence as... | 28858767 |
| Peritoneal macrophage | IC50 | = | 4130.0 | nM | 5.38 | Antiinflammatory activity in ICR mouse primary peritoneal macrophages assessed a... | 28858767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28858767 | 10.1016/j.ejmech.2017.08.036 | Lymphocyte antigen 96 | 9 |
| 28858767 | 10.1016/j.ejmech.2017.08.036 | Peritoneal macrophage | 5 |
Data from ChEMBL 36 via Core Engine