Compound Detail
CHEMBL1641958
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Basic Information
| ChEMBL ID | CHEMBL1641958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYYRZAYJDIGPRI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
5.41
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.04 | 7.04 | 91.1 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.42 | 6.42 | 384.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 91.1 | nM | 7.04 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells afte... | 20979417 |
| Cannabinoid receptor 1 | Ki | = | 384.0 | nM | 6.42 | Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells af... | 20979417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 1 | 1 |
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 2 | 1 |
| 20979417 | 10.1021/jm100286k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine