Compound Detail
CHEMBL1398824
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Basic Information
| ChEMBL ID | CHEMBL1398824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIEQCEHJISSTDA-ALCCZGGFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.46
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 5.47 | 5.47 | 3408.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.18 | 4.18 | 66733.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 3408.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 66733.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen for activators of the Aryl Hy... | - |
Data from ChEMBL 36 via Core Engine