Compound Detail
CHEMBL5089573
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Basic Information
| ChEMBL ID | CHEMBL5089573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MERGDUFFWFLDNT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.8
MW (Da)
4.60
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.03 | 5.7 | 93.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 93.33 | nM | 7.03 | Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 c... | 34929081 |
| Cannabinoid receptor 1 | IC50 | = | 7943.28 | nM | 5.1 | Allosteric antagonist activity against human CB1 receptor expressed in HEK293 ce... | 34929081 |
| Cannabinoid receptor 1 | IC50 | = | 10715.19 | nM | 4.97 | Antagonist activity at N-terminal tagged human CB1 receptor transfected with HEK... | 34929081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34929081 | 10.1021/acs.jmedchem.1c01432 | Cannabinoid receptor 1 | 5 |
| 34929081 | 10.1021/acs.jmedchem.1c01432 | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine