Compound Detail
CHEMBL1773188
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Basic Information
| ChEMBL ID | CHEMBL1773188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WORNGLHQKRZDIL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
7
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.15
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.72 | 6.72 | 190.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 8.47 | nM | Homo sapiens |
| Ke | 34.3 | nM | Homo sapiens |
| Ke | 36.8 | nM | Homo sapiens |
| Ke | 8.47 | nM | Homo sapiens |
| Ke | 36.8 | nM | Homo sapiens |
| Ke | 34.3 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 190.25 | nM | 6.72 | Antagonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP leve... | 38810170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Mu-type opioid receptor | 6 |
| 24635568 | 10.1021/jm500184j | Mu-type opioid receptor | 2 |
| 24635568 | 10.1021/jm500184j | Kappa-type opioid receptor | 2 |
| 24635568 | 10.1021/jm500184j | Delta-type opioid receptor | 2 |
| 21116435 | 10.1021/ml100126b | Mu-type opioid receptor | 1 |
| 21116435 | 10.1021/ml100126b | Delta-type opioid receptor | 1 |
| 21116435 | 10.1021/ml100126b | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine