Compound Detail
CHEMBL1386881
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Basic Information
| ChEMBL ID | CHEMBL1386881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKNDOFXTCCPRML-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.15
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.77
EC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.77 | 5.76 | 1690.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 4.64 | 4.64 | 23100.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1690.0 | nM | 5.77 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 1775.55 | nM | 5.75 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Cannabinoid receptor 1 | IC50 | = | 2700.0 | nM | 5.57 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| G-protein coupled receptor 35 | EC50 | = | 23100.0 | nM | 4.64 | PUBCHEM_BIOASSAY: SAR analysis of Agonists of the GPR35 Receptor using an Image-... | - |
| Cannabinoid receptor 2 | IC50 | = | 24200.0 | nM | 4.62 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 usin... | - |
Data from ChEMBL 36 via Core Engine