Compound Detail
CHEMBL501113
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL501113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVEYPPFNMGAYCA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
3.08
ALogP
6
HBA
1
HBD
84.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.17 | 5.63 | 670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 670.0 | nM | 6.17 | Inhibition of cJNK phosphorylation by pepJIP1 displacement DELFIA assay | 19282190 |
| Unchecked | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of cJNK phosphorylation by Lantha screen assay | 19282190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19282190 | 10.1016/j.bmc.2009.02.046 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine