Compound Detail
CHEMBL430441
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL430441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYHZNSRQYYJYTK-KBPBESRZSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.14
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.8 | 7.76 | 15.9 | 2 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.67 | 6.27 | 212.0 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3465 | Ki | 6.67 | 6.67 | 212.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 15.9 | nM | 7.8 | Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in... | 19627147 |
| Mu-type opioid receptor | Ki | = | 19.0 | nM | 7.72 | Binding affinity for mouse opioid receptor mu | 2549247 |
| Mu-type opioid receptor | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in... | 23618710 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 212.0 | nM | 6.67 | Binding affinity for mouse sigma opioid receptor | 2549247 |
| Delta-type opioid receptor | Ki | = | 212.0 | nM | 6.67 | Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed... | 23618710 |
| Kappa-type opioid receptor | Ki | = | 450.0 | nM | 6.35 | Displacement of [3H]U69593 from human recombinant kappa opioid receptor expresse... | 19627147 |
| Delta-type opioid receptor | Ki | = | 1350.0 | nM | 5.87 | Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed... | 19627147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23618710 | 10.1016/j.bmc.2013.02.060 | Unchecked | 3 |
| 2549247 | 10.1021/jm00129a031 | Kappa-type opioid receptor | 1 |
| 2549247 | 10.1021/jm00129a031 | Mu-type opioid receptor | 1 |
| 2549247 | 10.1021/jm00129a031 | Sigma non-opioid intracellular receptor 1 | 1 |
| 2549247 | 10.1021/jm00129a031 | Mus musculus | 1 |
| 19627147 | 10.1021/jm9004225 | Kappa-type opioid receptor | 1 |
| 19627147 | 10.1021/jm9004225 | Delta-type opioid receptor | 1 |
| 19627147 | 10.1021/jm9004225 | Mu-type opioid receptor | 1 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Kappa-type opioid receptor | 1 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Delta-type opioid receptor | 1 |
| 23618710 | 10.1016/j.bmc.2013.02.060 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine