Compound Detail
CHEMBL1814333
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O=C(NC1(c2noc(C(F)(F)F)n2)CC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1CO
Basic Information
| ChEMBL ID | CHEMBL1814333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHNYVMPVCBVDPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
572.8
MW (Da)
5.81
ALogP
7
HBA
2
HBD
106.1
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 0.1 | nM | 10.0 | Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr b... | 21741835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Cannabinoid receptor 1 | 1 |
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Mus musculus | 1 |
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21741835 | 10.1016/j.bmcl.2011.06.017 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine