Compound Detail
CHEMBL518962
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CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(Cc3ccccc3)Cc3ccccc3)c2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL518962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNEWZPXFQLRDNT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
7.27
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| Blood CHEMBL613416 | IC50 | 4.36 | 4.36 | 43600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2150.0 | nM | 5.67 | Inhibition of p38alpha | 18578517 |
| Blood | IC50 | = | 43600.0 | nM | 4.36 | Inhibition of TNFalpha release in human whole blood | 18578517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578517 | 10.1021/jm701529q | Blood | 2 |
| 18578517 | 10.1021/jm701529q | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine