Compound Detail
CHEMBL575382
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Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C
Basic Information
| ChEMBL ID | CHEMBL575382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTNATBWTFKMMIN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
6.59
ALogP
4
HBA
1
HBD
51.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 5.6 | nM | 8.25 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 19595596 |
| Cannabinoid receptor 2 | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19595596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19595596 | 10.1016/j.bmc.2009.06.027 | Cannabinoid receptor 2 | 1 |
| 19595596 | 10.1016/j.bmc.2009.06.027 | Cannabinoid receptor 1 | 1 |
| 19595596 | 10.1016/j.bmc.2009.06.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine