Compound Detail
CHEMBL611144
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Basic Information
| ChEMBL ID | CHEMBL611144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONTSMVMHZIYPME-QLBJFCOMSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
9
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
4.28
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.86 | 7.86 | 13.8 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.58 | 6.58 | 263.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.12 | 6.12 | 758.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 21.0 | nM | Mus musculus |
| Ke | 811.0 | nM | Mus musculus |
| Ke | 2050.0 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 13.8 | nM | 7.86 | Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H... | 15743203 |
| Kappa-type opioid receptor | Ki | = | 263.03 | nM | 6.58 | Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes... | 15743203 |
| Delta-type opioid receptor | Ki | = | 758.58 | nM | 6.12 | Binding affinity against Opioid receptor delta 1 from rat brain membranes using ... | 15743203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2157011 | 10.1021/jm00166a018 | Mu-type opioid receptor | 1 |
| 2157011 | 10.1021/jm00166a018 | Kappa-type opioid receptor | 1 |
| 2157011 | 10.1021/jm00166a018 | Delta-type opioid receptor | 1 |
| 2157011 | 10.1021/jm00166a018 | Opioid receptors; mu & kappa | 1 |
| 2157011 | 10.1021/jm00166a018 | Opioid receptors; mu & delta | 1 |
| 15743203 | 10.1021/jm049117e | Delta-type opioid receptor | 1 |
| 15743203 | 10.1021/jm049117e | Mu-type opioid receptor | 1 |
| 15743203 | 10.1021/jm049117e | Kappa-type opioid receptor | 1 |
| 20580236 | 10.1016/j.bmc.2010.05.071 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine