Compound Detail
CHEMBL1233747
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Basic Information
| ChEMBL ID | CHEMBL1233747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQEFLPVRZJPIAZ-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
487.5
MW (Da)
4.79
ALogP
7
HBA
3
HBD
115.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.4 | 6.4 | 400.0 | 2 |
| Mitogen-activated protein kinase 10 CHEMBL4092 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay | 25415535 |
| Mitogen-activated protein kinase 10 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of JNK3 (unknown origin) expressed in Escherichia coli BL21 (DE3) cel... | 37722288 |
| Mitogen-activated protein kinase 8 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay | 25415535 |
| Mitogen-activated protein kinase 8 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 1 hr by Lantha... | 37722288 |
| Mitogen-activated protein kinase 10 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of JNK3-mediated c-jun phosphorylation in rat INS1 cells | 25415535 |
| MAP kinase p38 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of p38 (unknown origin) | 25415535 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human P38 MAPK by ADP-Glo kinase assay | 37722288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 10 | 2 |
| 25415535 | 10.1021/jm501212r | MAP kinase p38 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 8 | 1 |
| 37722288 | 10.1016/j.ejmech.2023.115817 | Unchecked | 1 |
| 37722288 | 10.1016/j.ejmech.2023.115817 | Mitogen-activated protein kinase 8 | 1 |
| 37722288 | 10.1016/j.ejmech.2023.115817 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine