Compound Detail
CHEMBL450324
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Basic Information
| ChEMBL ID | CHEMBL450324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHCKHDODOJRZNC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
5.26
ALogP
9
HBA
0
HBD
99.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.87 | 7.555 | 13.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13.6 | nM | 7.87 | Inhibition of JNK by time-resolved FRET assay | 19271755 |
| Unchecked | IC50 | = | 57.0 | nM | 7.24 | Displacement of biotin-labeled pep-JIP11 from JNK by DELFIA assay | 19271755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19271755 | 10.1021/jm801503n | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine