Compound Detail
CHEMBL5789314
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(-c2[nH]c3ccc(C4CCN(CC(=O)N5CCC(O)CC5)CC4)cc3c2C(C)C)cc(C)n1
Basic Information
| ChEMBL ID | CHEMBL5789314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAPZWHLZAXLIML-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.7
MW (Da)
5.13
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 7 CHEMBL5936 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Toll-like receptor 8 CHEMBL5805 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 4.0 | nM | 8.4 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 8 | IC50 | = | 17.0 | nM | 7.77 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
| Toll-like receptor 9 | IC50 | = | 74.0 | nM | 7.13 | Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7,... | - |
Data from ChEMBL 36 via Core Engine