Compound Detail
CHEMBL2442639
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Basic Information
| ChEMBL ID | CHEMBL2442639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXKHBPOYZOPFIH-MKAYIHSVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.53
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.20
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 5.25 | 5.25 | 5600.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 4.99 | 4.99 | 10200.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 4.38 | 4.38 | 41500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 5600.0 | nM | 5.25 | Displacement of [3H]-CP-55940 from cannabinoid CB1 receptor in CD1 mouse brain m... | 24095014 |
| Cannabinoid receptor 2 | Ki | = | 10200.0 | nM | 4.99 | Displacement of [3H]-CP-55940 from cannabinoid CB2 receptor in CD1 mouse spleen ... | 24095014 |
| Delta-type opioid receptor | Ki | = | 11000.0 | nM | 4.96 | Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse brain membrane... | 24095014 |
| Mu-type opioid receptor | Ki | = | 41500.0 | nM | 4.38 | Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes a... | 24095014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24095014 | 10.1016/j.bmc.2013.09.017 | Unchecked | 2 |
| 24095014 | 10.1016/j.bmc.2013.09.017 | Delta-type opioid receptor | 1 |
| 24095014 | 10.1016/j.bmc.2013.09.017 | Mu-type opioid receptor | 1 |
| 24095014 | 10.1016/j.bmc.2013.09.017 | Cannabinoid receptor 2 | 1 |
| 24095014 | 10.1016/j.bmc.2013.09.017 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine