Compound Detail
CHEMBL3120173
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C[N+](C)(C)CCO.Cn1c(-c2cn(-c3cccc(C(=O)[O-])c3)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1
Basic Information
| ChEMBL ID | CHEMBL3120173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOCPUPWQPNSUQZ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3120983 |
| Active Moiety | CHEMBL3120983 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
4.23
ALogP
7
HBA
1
HBD
98.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 91.0 | nM | 7.04 | Inhibition of p38a MAPK (unknown origin) by radiometric assay | 24508134 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24508134 | 10.1016/j.bmcl.2014.01.034 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine