Compound Detail
CHEMBL3393596
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Basic Information
| ChEMBL ID | CHEMBL3393596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCIAPPMPZKEHOE-RZDIXWSQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.32
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay | 25415535 |
| Mitogen-activated protein kinase 10 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay | 25415535 |
| Mitogen-activated protein kinase 9 | IC50 | = | 123.0 | nM | 6.91 | Inhibition of JNK2 (unknown origin) by time-resolved fluorescence assay | 25415535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 8 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 9 | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine