Compound Detail
CHEMBL1498988
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Basic Information
| ChEMBL ID | CHEMBL1498988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMVOSXWFIBSYRX-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.0
MW (Da)
4.28
ALogP
5
HBA
1
HBD
92.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
EC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.0 | 5.87 | 992.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.22 | 5.22 | 5950.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.18 | 5.18 | 6670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 992.0 | nM | 6.0 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 1804.7 | nM | 5.74 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Cannabinoid receptor 1 | IC50 | = | 5950.0 | nM | 5.22 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Mucolipin-3 | EC50 | = | 6670.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
Data from ChEMBL 36 via Core Engine