Compound Detail
CHEMBL4650329
AFIMETORAN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4650329 |
| Name | AFIMETORAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SNFVHLQYHFQOEP-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
3
Known Names
2
Indications
2
Mechanisms
Molecular Properties
444.6
MW (Da)
4.28
ALogP
5
HBA
2
HBD
92.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Toll-like receptor 8 inhibitor | INHIBITOR | Toll-like receptor 8 | ✓ | ✓ |
| Toll-like receptor 7 inhibitor | INHIBITOR | Toll-like receptor 7 | ✓ | ✓ |
Indications
Lupus Erythematosus, Cutaneous Lupus Erythematosus, Systemic
Activity Summary
IC50 7 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 8 CHEMBL5805 | IC50 | 8.85 | 8.85 | 1.4 | 2 |
| Toll-like receptor 7 CHEMBL5936 | IC50 | 8.85 | 8.85 | 1.4 | 2 |
| Multidrug and toxin extrusion protein 2 CHEMBL1743127 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.29 | 5.29 | 5113.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 7 | IC50 | = | 1.4 | nM | 8.85 | TLR7/8/9 Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing hu... | - |
| Toll-like receptor 8 | IC50 | = | 1.4 | nM | 8.85 | TLR7/8/9 Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing hu... | - |
| Toll-like receptor 7 | IC50 | = | 1.4 | nM | 8.85 | Biological Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or ... | - |
| Toll-like receptor 8 | IC50 | = | 1.4 | nM | 8.85 | Biological Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or ... | - |
| Multidrug and toxin extrusion protein 2 | IC50 | = | 300.0 | nM | 6.52 | MATE2-K IC50 Assay: MATE2-K (multidrug and toxin extrusion protein 2) is express... | - |
| Toll-like receptor 9 | IC50 | = | 5113.0 | nM | 5.29 | TLR7/8/9 Inhibition Reporter Assay: HEK-Blue-cells (Invivogen) overexpressing hu... | - |
| Toll-like receptor 9 | IC50 | = | 5113.0 | nM | 5.29 | Biological Assay: HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or ... | - |
Data from ChEMBL 36 via Core Engine