Compound Detail
CHEMBL426912
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Basic Information
| ChEMBL ID | CHEMBL426912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBRMJCAPNGJKEM-AQASXUMVSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
251.4
MW (Da)
4.23
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.28 | 7.25 | 52.0 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.05 | 6.05 | 900.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.71 | 5.71 | 1940.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 5.09 | 5.09 | 8200.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 52.0 | nM | 7.28 | Displacement of [3H]CP-55940 from CB2 receptor expressed in HEK cells | 17497806 |
| Cannabinoid receptor 2 | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in HE... | 30816712 |
| Cannabinoid receptor 2 | Ki | = | 900.0 | nM | 6.05 | Displacement of [3H]-CP-55940 from cannabinoid CB2 receptor in CD1 mouse spleen ... | 24095014 |
| Cannabinoid receptor 1 | Ki | = | 1940.0 | nM | 5.71 | Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in HE... | 30816712 |
| Cannabinoid receptor 1 | Ki | = | 2600.0 | nM | 5.58 | Displacement of [3H]-CP-55940 from cannabinoid CB1 receptor in CD1 mouse brain m... | 24095014 |
| Mu-type opioid receptor | Ki | = | 8200.0 | nM | 5.09 | Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes a... | 24095014 |
| Delta-type opioid receptor | Ki | = | 43000.0 | nM | 4.37 | Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse brain membrane... | 24095014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19775895 | 10.1016/j.bmc.2009.08.050 | Hepatocyte | 8 |
| 18289853 | 10.1016/j.bmcl.2008.01.101 | Hepatocyte | 4 |
| 19775895 | 10.1016/j.bmc.2009.08.050 | L929 | 4 |
| 18477507 | 10.1016/j.bmcl.2008.04.052 | 3T3-L1 | 4 |
| 26105195 | 10.1016/j.bmcl.2015.06.024 | RAW264.7 | 3 |
| 15921428 | 10.1021/np040245f | RAW264.7 | 2 |
| 19374389 | 10.1021/np900003a | 3T3-L1 | 2 |
| 17497806 | 10.1021/np060598+ | Cannabinoid receptor 2 | 2 |
| 24095014 | 10.1016/j.bmc.2013.09.017 | Unchecked | 2 |
| 19374389 | 10.1021/np900003a | Peroxisome proliferator-activated receptor gamma | 1 |
| 19374389 | 10.1021/np900003a | MEF | 1 |
| 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 |
| 30816712 | 10.1021/acs.jnatprod.8b00874 | Cannabinoid receptor 1 | 1 |
| 30816712 | 10.1021/acs.jnatprod.8b00874 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine