Compound Detail
CHEMBL5974615
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CC(c1c(-c2cc(N3CCOCC3)c3ncnn3c2)[nH]c2ccc(C3CCNCC3)cc12)C(F)F
Basic Information
| ChEMBL ID | CHEMBL5974615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVAMBQNYTLIIFX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
4.55
ALogP
6
HBA
2
HBD
70.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 6.37 | 6.37 | 424.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 5.7 | nM | 8.24 | Biological Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or ... | - |
| Toll-like receptor 9 | IC50 | = | 424.0 | nM | 6.37 | Biological Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or ... | - |
Data from ChEMBL 36 via Core Engine