Compound Detail
CHEMBL433508
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Basic Information
| ChEMBL ID | CHEMBL433508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFTWMVGLYKJUCZ-KRWDZBQOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.72
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| Kappa-type opioid receptor CHEMBL4329 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 5.63 | 5.63 | 2341.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.64 | nM | 9.19 | Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig | 1652025 |
| Kappa-type opioid receptor | Ki | = | 0.64 | nM | 9.19 | Evaluated for the binding affinity at kappa receptor | 7932577 |
| Delta-type opioid receptor | Ki | = | 1000.0 | nM | 6.0 | Binding affinity was measured on opioid receptor delta sites. | 1652025 |
| Mu-type opioid receptor | Ki | = | 2341.0 | nM | 5.63 | Affinity for opioid receptor mu sites | 1652025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1652025 | 10.1021/jm00112a042 | Mus musculus | 3 |
| 7932577 | 10.1021/jm00047a006 | Mus musculus | 3 |
| 7932577 | 10.1021/jm00047a006 | Rattus norvegicus | 2 |
| 1652025 | 10.1021/jm00112a042 | Kappa-type opioid receptor | 1 |
| 1652025 | 10.1021/jm00112a042 | Mu-type opioid receptor | 1 |
| 1652025 | 10.1021/jm00112a042 | Delta-type opioid receptor | 1 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
| 7932577 | 10.1021/jm00047a006 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine