Compound Detail
CHEMBL1491374
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Basic Information
| ChEMBL ID | CHEMBL1491374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXYYCFBEHHEXJY-VWLOTQADSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
4.98
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.9 | 5.9 | 1249.1 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 4.75 | 4.75 | 17879.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 23776.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1249.07 | nM | 5.9 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 17879.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Unchecked | IC50 | = | 23776.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Counterscreen for antagonists of the orexin 1 receptor (OX1R; ... | - |
Data from ChEMBL 36 via Core Engine