Compound Detail
CHEMBL5961604
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Cc1cc(-c2[nH]c3ccc(C4CCN(CC5CCN(C(C)C)CC5)CC4)cc3c2C(C)C)ccn1
Basic Information
| ChEMBL ID | CHEMBL5961604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHPCTIWFACKOSW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.96
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| Toll-like receptor 7 CHEMBL5936 | IC50 | 8.04 | 8.04 | 9.2 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 8 | IC50 | = | 5.5 | nM | 8.26 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 7 | IC50 | = | 9.2 | nM | 8.04 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 9 | IC50 | = | 101.0 | nM | 7.0 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
Data from ChEMBL 36 via Core Engine