Compound Detail
CHEMBL1382214
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Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3n2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL1382214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZRLSZPXWKJEHX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
6.03
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1784.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.99 | 4.99 | 10185.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1784.0 | nM | 5.75 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| G-protein coupled receptor 55 | IC50 | = | 7700.0 | nM | 5.11 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Cannabinoid receptor 1 | IC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| No relevant target | IC50 | = | 10185.0 | nM | 4.99 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
Data from ChEMBL 36 via Core Engine