Compound Detail
CHEMBL2376914
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Cc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5F)ccc43)c2)ccc1N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL2376914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLGOXVCJXNJPFO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
6.31
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of MAPK p38 (unknown origin)-mediated ATF2 Thr71 phosphorylation by H... | 23518277 |
| Mitogen-activated protein kinase 10 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of JNK3 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ... | 23518277 |
| Mitogen-activated protein kinase 8 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of JNK1 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ... | 23518277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Unchecked | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Mitogen-activated protein kinase 8 | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | Mitogen-activated protein kinase 10 | 1 |
| 23518277 | 10.1016/j.bmcl.2013.02.082 | MAP kinase p38 | 1 |
Data from ChEMBL 36 via Core Engine