Compound Detail
CHEMBL3596703
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
Basic Information
| ChEMBL ID | CHEMBL3596703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTINZCJGHCVMMS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
3.88
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.48
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.96 | 5.96 | 1084.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 5.48 | 5.48 | 3311.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1084.0 | nM | 5.96 | Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell... | 31302448 |
| Cannabinoid receptor 2 | EC50 | = | 3311.0 | nM | 5.48 | Agonist activity at N-terminal Flag epitope tagged CB2 (unknown origin) expresse... | 31302448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 1 | 4 |
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Cannabinoid receptor 2 | 4 |
| - | 10.1039/C4MD00224E | Mycobacterium tuberculosis | 1 |
| - | 10.1039/C4MD00224E | HEK-293T | 1 |
| 31302448 | 10.1016/j.ejmech.2019.07.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine