Compound Detail
CHEMBL573796
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(CCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-n3c(C)ccc3C)c2C)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL573796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGWIWHRBJPCYLT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
531.9
MW (Da)
6.53
ALogP
5
HBA
1
HBD
61.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.95 | 6.95 | 112.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.46 | 5.46 | 3483.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 112.0 | nM | 6.95 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 19595596 |
| Cannabinoid receptor 2 | Ki | = | 3483.0 | nM | 5.46 | 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 | Unchecked | 1 |
| 19595596 | 10.1016/j.bmc.2009.06.027 | Cannabinoid receptor 2 | 1 |
| 19595596 | 10.1016/j.bmc.2009.06.027 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine