Compound Detail
CHEMBL4177060
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Basic Information
| ChEMBL ID | CHEMBL4177060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWHBASULGNSUSE-ZLOWPGFWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
5.17
ALogP
3
HBA
2
HBD
61.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 10.15 | 10.15 | 0.1 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 10.1 | 10.1 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 0.07 | nM | 10.15 | Agonist activity at N-terminal FLAG-tagged human CB1 receptor transfected in hum... | 29856219 |
| Cannabinoid receptor 1 | EC50 | = | 0.07 | nM | 10.15 | Presto-Tango -Arrestin Recruitment Assay: Binding of the parent compounds to put... | - |
| Cannabinoid receptor 2 | EC50 | = | 0.08 | nM | 10.1 | Agonist activity at N-terminal FLAG-tagged human CB2 receptor transfected in hum... | 29856219 |
| Cannabinoid receptor 2 | EC50 | = | 0.08 | nM | 10.1 | Presto-Tango -Arrestin Recruitment Assay: Binding of the parent compounds to put... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29856219 | 10.1021/acs.jmedchem.8b00243 | 143B | 5 |
| 29856219 | 10.1021/acs.jmedchem.8b00243 | HOS | 5 |
| 29856219 | 10.1021/acs.jmedchem.8b00243 | MG-63 | 4 |
| 29856219 | 10.1021/acs.jmedchem.8b00243 | HUVEC | 2 |
| 29856219 | 10.1021/acs.jmedchem.8b00243 | Fatty-acid amide hydrolase 1 | 1 |
| 29856219 | 10.1021/acs.jmedchem.8b00243 | Cannabinoid receptor 1 | 1 |
| 29856219 | 10.1021/acs.jmedchem.8b00243 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine