Compound Detail
CHEMBL277297
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Basic Information
| ChEMBL ID | CHEMBL277297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFUGLIFIBPAGFC-DOFZRALJSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
5.63
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.89 | 7.0167 | 13.0 | 3 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.52 | 7.52 | 29.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 13.0 | nM | 7.89 | Binding affinity against the cannabinoid receptor | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 29.9 | nM | 7.52 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 189.0 | nM | 6.72 | Binding affinity against the cannabinoid receptor in the presence of PMSF | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 364.0 | nM | 6.44 | Binding affinity against the cloned human Cannabinoid receptor 1 | 9057852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 4 |
| 8558515 | 10.1021/jm9505167 | Mus musculus | 2 |
| 10328303 | 10.1016/s0960-894x(99)00148-1 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine