Compound Detail
CHEMBL158544
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Basic Information
| ChEMBL ID | CHEMBL158544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKYAUSBRNXNKIW-GKFVBPDJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.6
MW (Da)
7.29
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.24 | 6.24 | 575.1 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.73 | 5.73 | 1860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 575.1 | nM | 6.24 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
| Cannabinoid receptor 1 | Ki | = | 1860.0 | nM | 5.73 | Binding affinity against the cannabinoid receptor in the presence of PMSF | 9057852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine