Compound Detail
CHEMBL209397
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Basic Information
| ChEMBL ID | CHEMBL209397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHBMLIVZIANQGH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
1.52
ALogP
6
HBA
2
HBD
125.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of JNK1 | 16854050 |
| Mitogen-activated protein kinase 9 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of JNK2 | 16854050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854050 | 10.1021/jm060465l | c-Jun N-terminal kinase, JNK | 1 |
| 16854050 | 10.1021/jm060465l | Mitogen-activated protein kinase 9 | 1 |
| 16854050 | 10.1021/jm060465l | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine