Compound Detail
CHEMBL184659
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COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCCN1CCCC1
Basic Information
| ChEMBL ID | CHEMBL184659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGTPGGBSDIEHKM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
4.65
ALogP
10
HBA
2
HBD
114.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.52 | 7.465 | 30.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 30.0 | nM | 7.52 | Inhibitory concentration against alpha mitogen activated protein kinase p38 acti... | 15454232 |
| Mitogen-activated protein kinase 14 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of p38alpha kinase | 16783341 |
| Homo sapiens | IC50 | = | 6300.0 | nM | 5.2 | 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 |
| 16783341 | 10.1038/nchembio799 | Mitogen-activated protein kinase 14 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine