Compound Detail
CHEMBL6049786
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CC(C)n1cnnc1-c1cccc(N2Cc3ccc(-c4cc(F)c(C(=O)O)c(F)c4)cc3C2=O)n1
Basic Information
| ChEMBL ID | CHEMBL6049786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBKSKHBAFIFZPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
4.72
ALogP
6
HBA
1
HBD
101.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 4.6 | nM | 8.34 | Kinase Activity Inhibition Assay: Inhibition of ASK1 kinase activity was determi... | - |
Data from ChEMBL 36 via Core Engine