Compound Detail
CHEMBL2380416
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Basic Information
| ChEMBL ID | CHEMBL2380416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCHHHSMPMLNVGS-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
5.83
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.01
EC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.01 | 8.01 | 9.8 | 2 |
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 7.89 | 7.89 | 12.9 | 3 |
| Cannabinoid receptor 1 CHEMBL3037 | EC50 | 6.56 | 6.56 | 276.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 9.8 | nM | 8.01 | Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhi... | 23631463 |
| Cannabinoid receptor 2 | Ki | = | 9.8 | nM | 8.01 | Functional Assay: A functional assay screen for the inhibition of adenylate cycl... | - |
| Cannabinoid receptor 1 | Ki | = | 12.9 | nM | 7.89 | Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition o... | 23631463 |
| Cannabinoid receptor 1 | Ki | = | 12.9 | nM | 7.89 | Competition Receptor Binding Assay: Competition receptor binding was performed a... | - |
| Cannabinoid receptor 1 | Ki | = | 12.9 | nM | 7.89 | Functional Assay: A functional assay screen for the inhibition of adenylate cycl... | - |
| Cannabinoid receptor 1 | EC50 | = | 276.5 | nM | 6.56 | [35S]GTPγS Binding Assay: [35S]GTPγS binding was performed as previously describ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23631463 | 10.1021/jm400268b | Mus musculus | 1 |
| 23631463 | 10.1021/jm400268b | Cannabinoid receptor 2 | 1 |
| 23631463 | 10.1021/jm400268b | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine