Compound Detail
CHEMBL1701517
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Basic Information
| ChEMBL ID | CHEMBL1701517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEXCOBKOWPYHFL-FNCQTZNRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.96
ALogP
4
HBA
0
HBD
68.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 6.02 | 6.02 | 959.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.08 | 5.08 | 8262.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 959.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Toll-like receptor 9 | IC50 | = | 8262.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine