Compound Detail
CHEMBL274833
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Basic Information
| ChEMBL ID | CHEMBL274833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCYSYVGXDRTALC-UHFFFAOYSA-N |
6
Targets
10
Activities
3
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.67
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.85
IC50 4 meas. best 7.82
EC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Prostaglandin-H2 D-isomerase CHEMBL4334 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 7.72 | 7.43 | 19.0 | 2 |
| Adenylate cyclase type 5 CHEMBL2880 | EC50 | 6.43 | 6.43 | 370.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.2 | 6.2 | 638.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 14.0 | nM | 7.85 | Evaluated for binding affinity against recombinant human peripheral cannabinoid ... | - |
| Mus musculus | IC50 | = | 15.0 | nM | 7.82 | Concentration required to inhibit electrically induced contractions in isolated ... | 7636873 |
| Prostaglandin-H2 D-isomerase | IC50 | = | 15.0 | nM | 7.82 | Concentration required to inhibit 50% activity of prostaglandin synthetase was d... | 1900533 |
| Cannabinoid receptor 1 | IC50 | = | 19.0 | nM | 7.72 | Concentration of compound required to inhibit 50% of [3H]WIN-55212 binding to Ca... | 7636873 |
| Cannabinoid receptor 1 | IC50 | = | 73.0 | nM | 7.14 | Binding affinity against brain Cannabinoid receptor 1 using [3H]CP-55940 as radi... | 8642555 |
| Adenylate cyclase type 5 | EC50 | = | 370.0 | nM | 6.43 | Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase ac... | 8642555 |
| Cannabinoid receptor 1 | Ki | = | 638.0 | nM | 6.2 | Evaluated for binding affinity against recombinant human central cannabinoid rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1900533 | 10.1021/jm00107a034 | Rattus norvegicus | 3 |
| 1900533 | 10.1021/jm00107a034 | Mus musculus | 2 |
| 9804691 | 10.1021/jm980305c | Cannabinoid receptor 1 | 2 |
| 7636873 | 10.1021/jm00016a013 | Cannabinoid receptor 1 | 1 |
| 7636873 | 10.1021/jm00016a013 | Mus musculus | 1 |
| 8642555 | 10.1021/jm950932r | Adenylate cyclase type 5 | 1 |
| 8642555 | 10.1021/jm950932r | Cannabinoid receptor 1 | 1 |
| 1900533 | 10.1021/jm00107a034 | Prostaglandin-H2 D-isomerase | 1 |
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 2 | 1 |
| - | 10.1016/0960-894X(96)00426-X | Cannabinoid receptor 1 | 1 |
| 11448223 | 10.1021/jm010858e | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine