Compound Detail
CHEMBL4240996
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Basic Information
| ChEMBL ID | CHEMBL4240996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAMDHEQCZZRWLN-MUPDODCCSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
5.54
ALogP
4
HBA
1
HBD
51.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.8
EC50 2 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 9.24 | 9.24 | 0.6 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.04 | 8.04 | 9.1 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.77 | 7.77 | 16.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 0.58 | nM | 9.24 | Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells asses... | 30122284 |
| Cannabinoid receptor 2 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in H... | 30122284 |
| Cannabinoid receptor 1 | Ki | = | 3.4 | nM | 8.47 | Displacement of [3H]CP-55,940 from rat brain Cb1 receptor | 30122284 |
| Cannabinoid receptor 2 | EC50 | = | 9.14 | nM | 8.04 | Agonist activity at recombinant human Cb2 receptor expressed in HEK293 cells ass... | 30122284 |
| Cannabinoid receptor 2 | Ki | = | 16.9 | nM | 7.77 | Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in H... | 30122284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30122284 | 10.1016/j.bmc.2018.08.003 | Cannabinoid receptor 2 | 4 |
| 30122284 | 10.1016/j.bmc.2018.08.003 | Cannabinoid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine