Compound Detail
CHEMBL236384
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 | CHEMBL236384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMCXSWNTABUZSU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
3
PK Parameters
10
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.64
ALogP
6
HBA
2
HBD
86.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Monocyte CHEMBL614076 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1041.0 | ng.hr.kg/mg/ml | Rattus norvegicus |
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 14.0 | % | 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 Tpl2 kinase assessed as MEK phosphorylation by ELISA | 17664070 |
| Monocyte | IC50 | = | 500.0 | nM | 6.3 | Inhibition of LPS-induced TNFalpha production in human monocytes | 17664070 |
| Blood | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of LPS-induced TNFalpha production in human blood | 17664070 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of Src kinase | 17664070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17664070 | 10.1016/j.bmc.2007.06.054 | Unchecked | 8 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Rattus norvegicus | 3 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | MAP kinase p38 | 2 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Monocyte | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Blood | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Epidermal growth factor receptor | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | MAP kinase-activated protein kinase 2 | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Protein kinase C (PKC) | 1 |
| 17664070 | 10.1016/j.bmc.2007.06.054 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine