Compound Detail
CHEMBL1209596
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C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1
Basic Information
| ChEMBL ID | CHEMBL1209596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIHVMKYMBONCDC-KSFYIVLOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
569.9
MW (Da)
7.20
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 0.59 | nM | 9.23 | Displacement of [3H]CP55490 from human recombinant cannabinoid CB1 receptor expr... | 20643546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20643546 | 10.1016/j.bmcl.2010.06.127 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine