Compound Detail
CHEMBL295787
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Basic Information
| ChEMBL ID | CHEMBL295787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIUKJOXZIFLOOD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
2.67
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 7.9 | 7.9 | 12.5 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL2336 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 12.5 | nM | 7.9 | Inhibitory activity against TNF-alpha production using lipopolysaccharide stimul... | 12729637 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1300.0 | nM | 5.89 | In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity... | 12127515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729637 | 10.1016/s0960-894x(03)00238-5 | THP-1 | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Mitogen-activated protein kinase 14 | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | PBMC | 1 |
| 12127515 | 10.1016/s0960-894x(02)00336-0 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine