Compound Detail
CHEMBL1360165
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Basic Information
| ChEMBL ID | CHEMBL1360165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEAZROGNZZIRPL-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
274.8
MW (Da)
3.70
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.73 | 5.7933 | 186.2 | 6 |
| HepG2 CHEMBL395 | IC50 | 4.42 | 4.42 | 37600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 186.21 | nM | 6.73 | Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 c... | 34929081 |
| Cannabinoid receptor 1 | IC50 | = | 199.53 | nM | 6.7 | Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 c... | 34015703 |
| Cannabinoid receptor 1 | IC50 | = | 3162.28 | nM | 5.5 | Allosteric antagonist activity at N-terminal 3HA-tagged human CB1 receptor expre... | 34015703 |
| Cannabinoid receptor 1 | IC50 | = | 3467.37 | nM | 5.46 | Antagonist activity at N-terminal tagged human CB1 receptor transfected with HEK... | 34929081 |
| Cannabinoid receptor 1 | IC50 | = | 6309.57 | nM | 5.2 | Allosteric antagonist activity at human CB1 receptor expressed in HEK293 cell me... | 34015703 |
| Cannabinoid receptor 1 | IC50 | = | 6760.83 | nM | 5.17 | Allosteric antagonist activity against human CB1 receptor expressed in HEK293 ce... | 34929081 |
| HepG2 | IC50 | = | 37600.0 | nM | 4.42 | Cytotoxicity against Homo sapiens (human) HepG2 cells assessed as inhibition of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34929081 | 10.1021/acs.jmedchem.1c01432 | Cannabinoid receptor 1 | 5 |
| 34015703 | 10.1016/j.bmc.2021.116215 | Cannabinoid receptor 1 | 4 |
| 34015703 | 10.1016/j.bmc.2021.116215 | Cannabinoid receptor 2 | 3 |
| 34929081 | 10.1021/acs.jmedchem.1c01432 | Cannabinoid receptor 2 | 2 |
| - | 10.1007/s00044-012-0402-6 | MOLT-3 | 1 |
| - | 10.1007/s00044-012-0402-6 | HepG2 | 1 |
| - | 10.1007/s00044-012-0402-6 | A549 | 1 |
| - | 10.1007/s00044-012-0402-6 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine