Compound Detail
CHEMBL3758877
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Basic Information
| ChEMBL ID | CHEMBL3758877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIYLMDVRSNXYOT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
5.43
ALogP
4
HBA
2
HBD
60.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 8.68 | 7.7167 | 2.1 | 3 |
| Cannabinoid receptor 1 CHEMBL3037 | EC50 | 7.56 | 7.56 | 27.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 2.09 | nM | 8.68 | Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells a... | 26529344 |
| Cannabinoid receptor 1 | EC50 | = | 19.6 | nM | 7.71 | Positive allosteric modulator activity at human CB1R expressed in CHO cells asse... | 26529344 |
| Cannabinoid receptor 1 | EC50 | = | 27.3 | nM | 7.56 | Activity at CB1R in mouse brain membranes assessed as inhibition of CP55,940-ind... | 26529344 |
| Cannabinoid receptor 1 | EC50 | = | 174.0 | nM | 6.76 | Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells a... | 26529344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26529344 | 10.1021/acs.jmedchem.5b01303 | Cannabinoid receptor 1 | 19 |
Data from ChEMBL 36 via Core Engine