Compound Detail
CHEMBL1601194
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Basic Information
| ChEMBL ID | CHEMBL1601194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VATJQVNUAJMGHW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
1.97
ALogP
5
HBA
1
HBD
110.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 6.1 | 6.1 | 792.0 | 1 |
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.98 | 5.98 | 1055.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 792.03 | nM | 6.1 | PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based bioche... | - |
| Photoreceptor-specific nuclear receptor | IC50 | = | 1055.0 | nM | 5.98 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
Data from ChEMBL 36 via Core Engine