Compound Detail
CHEMBL5752939
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CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)CO)c3)s2)n(-c2cccc(F)c2)n1
Basic Information
| ChEMBL ID | CHEMBL5752939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUTITRZSWQFLSL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
4.52
ALogP
8
HBA
4
HBD
134.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 67.0 | nM | 7.17 | MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... | - |
Data from ChEMBL 36 via Core Engine