Compound Detail
CHEMBL1969923
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Basic Information
| ChEMBL ID | CHEMBL1969923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDTOAGDXWYIGER-WTKPLQERSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
0.72
ALogP
6
HBA
3
HBD
98.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.2 | 5.985 | 630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 630.0 | nM | 6.2 | Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincuba... | 23002419 |
| Mitogen-activated protein kinase 9 | IC50 | = | 1700.0 | nM | 5.77 | Displacement of FITC-JIP peptide from human His-tagged JNK2alpha2 after 30 mins ... | 23002419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23002419 | 10.1021/ml300129b | Mitogen-activated protein kinase 9 | 4 |
| 23002419 | 10.1021/ml300129b | Mitogen-activated protein kinase 14 | 1 |
| 23002419 | 10.1021/ml300129b | Mitogen-activated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine