Compound Detail
CHEMBL225231
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CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S+](C)[O-])cc3)n2CCN2CCCCC2)ccn1
Basic Information
| ChEMBL ID | CHEMBL225231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFLRINGJGXUMHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.8
MW (Da)
6.23
ALogP
7
HBA
1
HBD
86.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.35 | 5.35 | 4435.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 4435.0 | nM | 5.35 | Inhibition of mitogen-activated protein kinase p38 alpha | 15566301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566301 | 10.1021/jm0496584 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine