Compound Detail
CHEMBL1800729
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C#CCCCC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)OC[C@@H](C)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Basic Information
| ChEMBL ID | CHEMBL1800729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXURBARGIFREAQ-XHSRFYJISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
707.0
MW (Da)
8.94
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2000.0 | nM | 5.7 | Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA c... | 21675776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21675776 | 10.1021/jm2004392 | Cannabinoid receptor 1 | 1 |
| 21675776 | 10.1021/jm2004392 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine