Compound Detail
CHEMBL1726562
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Basic Information
| ChEMBL ID | CHEMBL1726562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIPGIHSVDXHMBO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.48
ALogP
6
HBA
2
HBD
79.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.42 | 5.42 | 3780.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 3780.0 | nM | 5.42 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Cannabinoid receptor 2 | IC50 | = | 26800.0 | nM | 4.57 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 usin... | - |
Data from ChEMBL 36 via Core Engine