Compound Detail
CHEMBL3120984
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Cn1c(-c2cn(CCOP(=O)([O-])[O-])nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3120984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCVZGSWFVRDTID-UHFFFAOYSA-L |
| Parent Compound | CHEMBL3140250 |
| Active Moiety | CHEMBL3140250 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
2.66
ALogP
8
HBA
2
HBD
128.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 250.0 | nM | 6.6 | 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