Compound Detail
CHEMBL571619
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Basic Information
| ChEMBL ID | CHEMBL571619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEBNIXUGANAKDR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
2.99
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Ki 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.31 | 6.31 | 491.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.27 | 6.27 | 535.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | Ki | = | 130.0 | nM | 6.89 | Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay | 25415535 |
| Mitogen-activated protein kinase 10 | IC50 | = | 491.0 | nM | 6.31 | Inhibition of JNK3 by time resolved fluorescence assay | 19947601 |
| Mitogen-activated protein kinase 8 | IC50 | = | 535.0 | nM | 6.27 | Inhibition of JNK1 by time resolved fluorescence assay | 19947601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19947601 | 10.1021/jm901351f | Mitogen-activated protein kinase 8 | 1 |
| 19947601 | 10.1021/jm901351f | Mitogen-activated protein kinase 10 | 1 |
| 19947601 | 10.1021/jm901351f | Unchecked | 1 |
| 25415535 | 10.1021/jm501212r | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine