Compound Detail
CHEMBL259339
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O=S(=O)(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CC=C(c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL259339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAQRKBMHJXTTRZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
5.98
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Homo sapiens |
| CL | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]CP-55940 from human CB1R expressed in HEK293 cells | 18335976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18335976 | 10.1021/jm701487t | Cannabinoid receptor 1 | 2 |
| 18335976 | 10.1021/jm701487t | Liver microsomes | 2 |
| 18335976 | 10.1021/jm701487t | Mus musculus | 1 |
| 18335976 | 10.1021/jm701487t | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine