Compound Detail
CHEMBL2029730
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Basic Information
| ChEMBL ID | CHEMBL2029730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYYAOAAEQUTERQ-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
3.31
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.24 | 6.24 | 576.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 576.0 | nM | 6.24 | Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells | 22607668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Cannabinoid receptor 1 | 3 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Cannabinoid receptor 2 | 1 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Liver microsomes | 1 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22607668 | 10.1016/j.bmcl.2012.04.128 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine