Compound Detail
CHEMBL2113675
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Basic Information
| ChEMBL ID | CHEMBL2113675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMBWLMAEABPAMK-FBACZLBJSA-N |
| Parent Compound | CHEMBL199832 |
| Active Moiety | CHEMBL199832 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
327.5
MW (Da)
3.63
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 11.0 | 11.0 | 0.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.01 | nM | 11.0 | Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]... | 10633042 |
| Kappa-type opioid receptor | Ki | = | 0.15 | nM | 9.82 | Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [... | 10633042 |
| Delta-type opioid receptor | Ki | = | 0.27 | nM | 9.57 | Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [... | 10633042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10633042 | 10.1021/jm9903343 | Mu-type opioid receptor | 1 |
| 10633042 | 10.1021/jm9903343 | Delta-type opioid receptor | 1 |
| 10633042 | 10.1021/jm9903343 | Kappa-type opioid receptor | 1 |
| 10633042 | 10.1021/jm9903343 | Opioid receptor (mu and kappa) | 1 |
| 10633042 | 10.1021/jm9903343 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine