Compound Detail
CHEMBL126023
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL126023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXSHGJJXHHEQII-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
4.09
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 80.0 | nM | 7.1 | In vitro inhibitory concentration against radioligand [3H]SB-202190 binding to C... | 8831759 |
| Prostaglandin G/H synthase 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram s... | 8831759 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 60000.0 | nM | 4.22 | Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells | 8831759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831759 | 10.1021/jm960415o | MAP kinase p38 | 1 |
| 8831759 | 10.1021/jm960415o | Mus musculus | 1 |
| 8831759 | 10.1021/jm960415o | Prostaglandin G/H synthase 1 | 1 |
| 8831759 | 10.1021/jm960415o | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine