Compound Detail
CHEMBL185315
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 | CHEMBL185315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYXXHXAZYORMBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
3.49
ALogP
9
HBA
2
HBD
104.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against alpha mitogen activated protein kinase p38 acti... | 15454232 |
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Inhibition of p38 MAPK | 18406015 |
| Homo sapiens | IC50 | = | 500.0 | nM | 6.3 | Concentration required to inhibit TNF-alpha production was determined in human w... | 15454232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454232 | 10.1016/j.bmcl.2004.08.007 | Mitogen-activated protein kinase 14 | 1 |
| 15454232 | 10.1016/j.bmcl.2004.08.007 | Homo sapiens | 1 |
| 18406015 | 10.1016/j.ejmech.2008.02.014 | Unchecked | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine