Compound Detail
CHEMBL1698243
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1698243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIXKXYGHZOJILO-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.17
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.07
EC50 2 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.42 | 5.42 | 3790.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 4.59 | 4.59 | 25500.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 850.0 | nM | 6.07 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Cannabinoid receptor 2 | IC50 | = | 3790.0 | nM | 5.42 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 usin... | - |
| G-protein coupled receptor 55 | IC50 | = | 15600.0 | nM | 4.81 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 35 | EC50 | = | 25500.0 | nM | 4.59 | PUBCHEM_BIOASSAY: SAR analysis of Agonists of the GPR35 Receptor using an Image-... | - |
| Cannabinoid receptor 2 | EC50 | = | 31600.0 | nM | 4.5 | PUBCHEM_BIOASSAY: SAR analysis of agonists of the Cannabinoid Receptor 2 using a... | - |
Data from ChEMBL 36 via Core Engine