Compound Detail
CHEMBL5980351
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COCC(=O)N1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)[C@@H](F)C1
Basic Information
| ChEMBL ID | CHEMBL5980351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQYYPCSULGHPTA-ZZHFZYNASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
579.0
MW (Da)
5.69
ALogP
8
HBA
0
HBD
95.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 9.0 | nM | 8.05 | Radioactive Binding Assay: The radioactive filter binding assay is standardized ... | - |
Data from ChEMBL 36 via Core Engine