Compound Detail
CHEMBL5831340
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CC(c1ccnc(Nc2nc3ccc(-c4cc(OCC(C)(F)F)ncn4)cc3[nH]2)c1)N1CCN(C(=O)C2CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5831340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYQQIYBBJIGVBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
4.81
ALogP
8
HBA
2
HBD
112.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 8.75 | 8.75 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 1.79 | nM | 8.75 | TBK1 Low ATP Kinase Assay: Recombinant full-length N-terminally His-tagged human... | - |
Data from ChEMBL 36 via Core Engine