Compound Detail
CHEMBL1366039
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Basic Information
| ChEMBL ID | CHEMBL1366039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWJKJCDOYFKZBJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.71
ALogP
5
HBA
0
HBD
68.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.97 | 5.67 | 1080.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1080.0 | nM | 5.97 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Antagonist activity at HA-epitope tagged GRP55E expressed with GFP-tagged beta-a... | 26916440 |
| G-protein coupled receptor 55 | IC50 | = | 4284.42 | nM | 5.37 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Cannabinoid receptor 1 | IC50 | = | 17700.0 | nM | 4.75 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26916440 | 10.1016/j.bmcl.2016.02.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine