Compound Detail
CHEMBL1773189
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Basic Information
| ChEMBL ID | CHEMBL1773189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTVXOUHJOOZWFP-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
7
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.54
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 7.6 | 7.6 | 24.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 0.88 | nM | Homo sapiens |
| Ke | 13.4 | nM | Homo sapiens |
| Ke | 4.09 | nM | Homo sapiens |
| Ke | 0.88 | nM | Homo sapiens |
| Ke | 4.09 | nM | Homo sapiens |
| Ke | 13.4 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 24.94 | nM | 7.6 | 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