Compound Detail
CHEMBL497556
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Basic Information
| ChEMBL ID | CHEMBL497556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMANBWUPAXKMFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.9
MW (Da)
4.98
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.71 | 8.71 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1.97 | nM | 8.71 | Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inh... | 18448340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18448340 | 10.1016/j.bmcl.2008.04.022 | Cannabinoid receptor 1 | 1 |
| 18448340 | 10.1016/j.bmcl.2008.04.022 | No relevant target | 1 |
| 18448340 | 10.1016/j.bmcl.2008.04.022 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine