Compound Detail
CHEMBL1421591
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CCCCC1(Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL1421591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRVNPBBTMQTXBC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.31
ALogP
4
HBA
0
HBD
83.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.26 | 6.25 | 552.5 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 552.48 | nM | 6.26 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| G-protein coupled receptor 55 | IC50 | = | 577.0 | nM | 6.24 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Cannabinoid receptor 1 | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
Data from ChEMBL 36 via Core Engine