Compound Detail
CHEMBL1259075
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CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC[C@@H](O)C[C@@H]32)SCCS1
Basic Information
| ChEMBL ID | CHEMBL1259075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNDLXLKMHFSKCI-GUDVDZBRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.7
MW (Da)
6.41
ALogP
5
HBA
2
HBD
49.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.86 | 7.86 | 13.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 4.51 | nM | 8.35 | Displacement of [3H]CP55940 from rat brain CB1 receptor | 20925434 |
| Cannabinoid receptor 2 | Ki | = | 13.9 | nM | 7.86 | Displacement of [3H]CP55940 from mouse spleen CB2 receptor | 20925434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20925434 | 10.1021/jm100641g | Cannabinoid receptor 1 | 1 |
| 20925434 | 10.1021/jm100641g | Cannabinoid receptor 2 | 1 |
| 20925434 | 10.1021/jm100641g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine