Compound Detail
CHEMBL1460039
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 | CHEMBL1460039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVVBPMRBFOQCQK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
350.3
MW (Da)
4.18
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.97
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.97 | 5.86 | 1060.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.05 | 5.05 | 8820.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 4.52 | 4.52 | 30200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1060.0 | nM | 5.97 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 1795.27 | nM | 5.75 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Cannabinoid receptor 1 | IC50 | = | 8820.0 | nM | 5.05 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Cannabinoid receptor 2 | EC50 | = | 30200.0 | nM | 4.52 | PUBCHEM_BIOASSAY: SAR analysis of agonists of the Cannabinoid Receptor 2 using a... | - |
Data from ChEMBL 36 via Core Engine