Compound Detail
CHEMBL5790979
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Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(S(C)(=O)=O)C[C@@H]1F
Basic Information
| ChEMBL ID | CHEMBL5790979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVIXOXWAEFXJFE-XADRRFQNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
585.0
MW (Da)
5.48
ALogP
8
HBA
0
HBD
103.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 7.92 | 7.92 | 12.0 | 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 | = | 12.0 | nM | 7.92 | Radioactive Binding Assay: The radioactive filter binding assay is standardized ... | - |
Data from ChEMBL 36 via Core Engine