Compound Detail
CHEMBL3220471
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Basic Information
| ChEMBL ID | CHEMBL3220471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATESPULSOFFUAV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
4.53
ALogP
7
HBA
3
HBD
96.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.22 | 6.22 | 603.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 218.0 | nM | 6.66 | Inhibition of JNK3 (unknown origin) using biotinylated ATF2 by HTRF method | - |
| Mitogen-activated protein kinase 9 | IC50 | = | 603.0 | nM | 6.22 | Inhibition of JNK2 (unknown origin) using biotinylated ATF2 by HTRF method | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00219H | Mitogen-activated protein kinase 9 | 1 |
| - | 10.1039/C1MD00219H | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine