Compound Detail
CHEMBL2380428
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 | CHEMBL2380428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFTDXCOKDRDGNQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
6.19
ALogP
2
HBA
0
HBD
14.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.96 | 7.96 | 10.9 | 2 |
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 7.81 | 7.81 | 15.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 10.9 | nM | 7.96 | Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhi... | 23631463 |
| Cannabinoid receptor 2 | Ki | = | 10.9 | nM | 7.96 | Functional Assay: A functional assay screen for the inhibition of adenylate cycl... | - |
| Cannabinoid receptor 1 | Ki | = | 15.4 | nM | 7.81 | Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition o... | 23631463 |
| Cannabinoid receptor 1 | Ki | = | 15.4 | nM | 7.81 | Functional Assay: A functional assay screen for the inhibition of adenylate cycl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23631463 | 10.1021/jm400268b | Mus musculus | 5 |
| 23631463 | 10.1021/jm400268b | Cannabinoid receptor 1 | 4 |
| 23631463 | 10.1021/jm400268b | Cannabinoid receptor 2 | 3 |
| 23631463 | 10.1021/jm400268b | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine