Compound Detail
CHEMBL13830
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O=C(NN1CCNCC1)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL13830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQAYUTWIMYAGRV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
3.41
ALogP
9
HBA
3
HBD
109.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.39 | 6.39 | 406.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 406.0 | nM | 6.39 | Inhibitory concentration against mitogen-activated protein kinase p38 alpha | 11354358 |
| Mitogen-activated protein kinase 14 | IC50 | = | 407.38 | nM | 6.39 | Inhibition of p38alpha | 17706839 |
| Mitogen-activated protein kinase 14 | IC50 | = | 406.0 | nM | 6.39 | Inhibition of p38alpha | 17706839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17706839 | 10.1016/j.ejmech.2007.06.009 | Mitogen-activated protein kinase 14 | 2 |
| 11354358 | 10.1016/s0960-894x(01)00163-9 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine