Compound Detail
CHEMBL472074
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Basic Information
| ChEMBL ID | CHEMBL472074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOTVFIHXCVIRDL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
453.3
MW (Da)
5.10
ALogP
9
HBA
0
HBD
91.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 7.89 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of JNK by time-resolved FRET assay | 19271755 |
| Unchecked | IC50 | = | 83.0 | nM | 7.08 | Displacement of biotin-labeled pep-JIP11 from JNK by DELFIA assay | 19271755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19271755 | 10.1021/jm801503n | Unchecked | 3 |
| 19271755 | 10.1021/jm801503n | Mitogen-activated protein kinase 14 | 1 |
| 19271755 | 10.1021/jm801503n | RAC-alpha serine/threonine-protein kinase | 1 |
| 19271755 | 10.1021/jm801503n | Furin | 1 |
Data from ChEMBL 36 via Core Engine