Compound Detail
CHEMBL5752148
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CC(c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5(F)F)c4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5752148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJUNYJBVJKJFGT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
588.6
MW (Da)
5.38
ALogP
7
HBA
2
HBD
95.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 9.14 | 9.0 | 0.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 0.72 | nM | 9.14 | TBK1 Low ATP Kinase Assay: Recombinant full-length N-terminally His-tagged human... | - |
| Serine/threonine-protein kinase TBK1 | IC50 | = | 1.06 | nM | 8.97 | TBK1 Low ATP Kinase Assay: Recombinant full-length N-terminally His-tagged human... | - |
| Serine/threonine-protein kinase TBK1 | IC50 | = | 1.3 | nM | 8.89 | TBK1 Low ATP Kinase Assay: Recombinant full-length N-terminally His-tagged human... | - |
Data from ChEMBL 36 via Core Engine