Compound Detail
CHEMBL3937503
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Basic Information
| ChEMBL ID | CHEMBL3937503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMJCTOQUFOXEFZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
1.50
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 1/2 CHEMBL3885644 | IC50 | 5.55 | 5.55 | 2830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 1/2 | IC50 | = | 2830.0 | nM | 5.55 | Antagonist activity at TLR1/2 in mouse RAW264.7 cells assessed as inhibition of ... | - |
Data from ChEMBL 36 via Core Engine