Compound Detail
CHEMBL493539
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Basic Information
| ChEMBL ID | CHEMBL493539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHBFMJAKLZGVDS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.81
ALogP
7
HBA
0
HBD
68.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 5.79 | 160.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.167 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 160.0 | nM | 6.8 | Inhibition of cJNK phosphorylation by pepJIP1 displacement DELFIA assay | 19282190 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of cJNK phosphorylation by Lantha screen assay | 19282190 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of cJNK phosphorylation in TNF-alpha-stimulated HL60 cells by Lantha ... | 19282190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19282190 | 10.1016/j.bmc.2009.02.046 | Unchecked | 4 |
| 19282190 | 10.1016/j.bmc.2009.02.046 | Mitogen-activated protein kinase 14 | 1 |
| 19282190 | 10.1016/j.bmc.2009.02.046 | RAC-alpha serine/threonine-protein kinase | 1 |
| 19282190 | 10.1016/j.bmc.2009.02.046 | Furin | 1 |
| 19282190 | 10.1016/j.bmc.2009.02.046 | Plasma | 1 |
| 19282190 | 10.1016/j.bmc.2009.02.046 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine