Compound Detail
CHEMBL327746
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 | CHEMBL327746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIMHPQLSNVDIIN-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
519.8
MW (Da)
6.22
ALogP
3
HBA
2
HBD
47.6
PSA (Ų)
0.43
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.89 | 9.89 | 0.1 | 3 |
| Homo sapiens CHEMBL372 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Blood CHEMBL613416 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 20.79 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 139.5 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 15.7 | % | Rattus norvegicus |
| T1/2 | 2.8 | hr | Rattus norvegicus |
| Vd | 18.6 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 0.13 | nM | 9.89 | Inhibitory activity against mitogen-activated protein kinase p38 alpha | 12482439 |
| Mitogen-activated protein kinase 14 | IC50 | = | 0.13 | nM | 9.89 | Inhibition of p38alpha | 18271520 |
| Mitogen-activated protein kinase 14 | IC50 | = | 0.13 | nM | 9.89 | Inhibition of p38alpha MAPK (unknown origin) | - |
| Homo sapiens | IC50 | = | 0.7 | nM | 9.15 | Inhibition of LPS-stimulated TNF-alpha production in monocyte cells | 12482439 |
| Blood | IC50 | = | 0.7 | nM | 9.15 | Suppression of TNFalpha production in LPS-stimulated whole blood | 18271520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12482439 | 10.1016/s0960-894x(02)00752-7 | Rattus norvegicus | 5 |
| 12482439 | 10.1016/s0960-894x(02)00752-7 | Mitogen-activated protein kinase 14 | 1 |
| 12482439 | 10.1016/s0960-894x(02)00752-7 | Homo sapiens | 1 |
| 18271520 | 10.1021/jm070654j | Mitogen-activated protein kinase 14 | 1 |
| 18271520 | 10.1021/jm070654j | Blood | 1 |
| - | 10.1007/s00044-012-0179-7 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine