Compound Detail
CHEMBL3220502
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Basic Information
| ChEMBL ID | CHEMBL3220502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXAACKOYNNQYHC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
422.9
MW (Da)
3.84
ALogP
6
HBA
3
HBD
113.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 9.8 | 9.8 | 0.2 | 2 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 84.58 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 10.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 3.0 | % | Rattus norvegicus |
| T1/2 | 0.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 0.16 | nM | 9.8 | Inhibition of JNK3 (unknown origin) using biotinylated ATF2 by HTRF method | - |
| Mitogen-activated protein kinase 10 | IC50 | = | 0.16 | nM | 9.8 | Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay | 25415535 |
| Mitogen-activated protein kinase 9 | IC50 | = | 0.24 | nM | 9.62 | Inhibition of JNK2 (unknown origin) using biotinylated ATF2 by HTRF method | - |
| Mitogen-activated protein kinase 8 | IC50 | = | 0.24 | nM | 9.62 | Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay | 25415535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00219H | Rattus norvegicus | 4 |
| - | 10.1039/C1MD00219H | Brain | 2 |
| - | 10.1039/C1MD00219H | Mitogen-activated protein kinase 9 | 1 |
| - | 10.1039/C1MD00219H | Mitogen-activated protein kinase 10 | 1 |
| - | 10.1039/C1MD00219H | Plasma | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 10 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine