Compound Detail
CHEMBL2151286
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Basic Information
| ChEMBL ID | CHEMBL2151286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSVIUMBOCMSOAO-FMQUCBEESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.05
ALogP
6
HBA
2
HBD
90.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.11 | 4.96 | 7800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 7800.0 | nM | 5.11 | Displacement of FITC-JIP peptide from human His-tagged JNK2alpha2 after 30 mins ... | 23002419 |
| Mitogen-activated protein kinase 9 | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincuba... | 23002419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23002419 | 10.1021/ml300129b | Mitogen-activated protein kinase 9 | 5 |
| 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