Compound Detail
CHEMBL1836189
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Basic Information
| ChEMBL ID | CHEMBL1836189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRTMLRVZSLOOCF-LTGZKZEYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.31
ALogP
6
HBA
0
HBD
75.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.99
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.99 | 7.99 | 10.2 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 7.4 | 7.4 | 40.1 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.21 | 7.21 | 62.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 10.2 | nM | 7.99 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 2 | Ki | = | 10.23 | nM | 7.99 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 2 | IC50 | = | 40.1 | nM | 7.4 | Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK... | 21835510 |
| Cannabinoid receptor 1 | Ki | = | 62.0 | nM | 7.21 | Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293... | 21835510 |
| Cannabinoid receptor 1 | IC50 | = | 155.0 | nM | 6.81 | Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293... | 21835510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 2 | 4 |
| 21835510 | 10.1016/j.ejmech.2011.07.023 | Cannabinoid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine