Compound Detail
CHEMBL344455
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CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)N(C)C)cc1OC2(C)C
Basic Information
| ChEMBL ID | CHEMBL344455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGBHDXFADXCURB-WOJBJXKFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
5.93
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.07 | 9.07 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.86 | nM | 9.07 | Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1) | 9784115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784115 | 10.1021/jm9803875 | Mus musculus | 4 |
| 9784115 | 10.1021/jm9803875 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine