Compound Detail
CHEMBL472897
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Basic Information
| ChEMBL ID | CHEMBL472897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYWJHPBUSXDXOJ-DOFZRALJSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.6
MW (Da)
7.65
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.9
Ki 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | EC50 | 7.9 | 7.15 | 12.6 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 12.59 | nM | 7.9 | Agonist activity at TRPV1 in rat isolated mesenteric arteries assessed as vasore... | 33257173 |
| Cannabinoid receptor 1 | Ki | = | 300.0 | nM | 6.52 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE... | 19053765 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at TRPV1 in rat isolated mesenteric arteries assessed as vasore... | 33257173 |
| Cannabinoid receptor 2 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19053765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053765 | 10.1021/jm800807k | Fatty-acid amide hydrolase 1 | 2 |
| 33257173 | 10.1016/j.ejmech.2020.113042 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 19053765 | 10.1021/jm800807k | Cannabinoid receptor 1 | 1 |
| 19053765 | 10.1021/jm800807k | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine