Compound Detail
CHEMBL1443900
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Basic Information
| ChEMBL ID | CHEMBL1443900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNCLRQFKIQTLSJ-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
4.17
ALogP
3
HBA
3
HBD
69.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.26
EC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.26 | 6.22 | 547.0 | 2 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.53 | 5.53 | 2950.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 4.96 | 4.96 | 10905.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 547.0 | nM | 6.26 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | IC50 | = | 666.0 | nM | 6.18 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| G-protein coupled receptor 55 | IC50 | = | 2950.0 | nM | 5.53 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Cannabinoid receptor 1 | IC50 | = | 3490.0 | nM | 5.46 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| COUP transcription factor 2 | IC50 | = | 10905.0 | nM | 4.96 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Cannabinoid receptor 2 | EC50 | = | 27400.0 | nM | 4.56 | PUBCHEM_BIOASSAY: SAR analysis of agonists of the Cannabinoid Receptor 2 using a... | - |
Data from ChEMBL 36 via Core Engine