Compound Detail
CHEMBL186177
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Basic Information
| ChEMBL ID | CHEMBL186177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RULZSIQMRFGMKN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
5.10
ALogP
4
HBA
2
HBD
54.0
PSA (Ų)
0.69
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.22 | 7.95 | 0.6 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.6 | nM | 9.22 | In vitro inhibitory activity against recombinant p56 lck tyrosine kinase express... | 15546730 |
| Mitogen-activated protein kinase 14 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of human p38alpha | 18313298 |
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | In vivo inhibitory activity against proliferation of normal human peripheral blo... | 15546730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546730 | 10.1016/j.bmcl.2004.09.093 | Unchecked | 2 |
| 18313298 | 10.1016/j.bmcl.2008.02.031 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine