Compound Detail
CHEMBL5087480
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Basic Information
| ChEMBL ID | CHEMBL5087480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMOBTPOOIVNICU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
3.61
ALogP
3
HBA
2
HBD
84.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.07 | 6.1167 | 85.1 | 3 |
| Cannabinoid receptor 1 CHEMBL3037 | IC50 | 6.11 | 6.11 | 776.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 85.11 | nM | 7.07 | Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 c... | 34929081 |
| Cannabinoid receptor 1 | IC50 | = | 776.25 | nM | 6.11 | Allosteric antagonist activity against mouse CB1 receptor expressed in HEK293 ce... | 34929081 |
| Cannabinoid receptor 1 | IC50 | = | 1778.28 | nM | 5.75 | Antagonist activity at N-terminal tagged human CB1 receptor transfected with HEK... | 34929081 |
| Cannabinoid receptor 1 | IC50 | = | 2951.21 | nM | 5.53 | Allosteric antagonist activity against human CB1 receptor expressed in HEK293 ce... | 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