Compound Detail
CHEMBL1331513
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Basic Information
| ChEMBL ID | CHEMBL1331513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPROQYQBNVRYST-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
4.26
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.71 | 5.71 | 1937.0 | 1 |
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 5.55 | 5.55 | 2803.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 4.62 | 4.62 | 24107.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.1 | 4.1 | 79392.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1937.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Aryl hydrocarbon receptor | EC50 | = | 2803.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| H4 | EC50 | = | 24107.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 79392.0 | nM | 4.1 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen for activators of the Aryl Hy... | - |
Data from ChEMBL 36 via Core Engine