Compound Detail
CHEMBL469766
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Basic Information
| ChEMBL ID | CHEMBL469766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSCHYRRQXRSXOM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.00
ALogP
9
HBA
1
HBD
107.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.6 | 7.425 | 25.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Inhibition of JNK by time-resolved FRET assay | 19271755 |
| Unchecked | IC50 | = | 56.0 | nM | 7.25 | Displacement of biotin-labeled pep-JIP11 from JNK by DELFIA assay | 19271755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 19271755 | 10.1021/jm801503n | Unchecked | 2 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
Data from ChEMBL 36 via Core Engine