Compound Detail
CHEMBL14094
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Basic Information
| ChEMBL ID | CHEMBL14094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUZQCAIXBLYSBU-HUUYTVAOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
0.43
ALogP
5
HBA
5
HBD
133.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 182.0 | nM | 6.74 | Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparati... | 6276540 |
| Delta-type opioid receptor | IC50 | = | 1220.0 | nM | 5.91 | Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle ... | 6276540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6276540 | 10.1021/jm00142a002 | Mus musculus | 2 |
| 2828622 | 10.1021/jm00397a019 | Mu-type opioid receptor | 1 |
| 2828622 | 10.1021/jm00397a019 | Opioid receptors; mu & delta | 1 |
| 6276540 | 10.1021/jm00142a002 | Mu-type opioid receptor | 1 |
| 6276540 | 10.1021/jm00142a002 | Delta-type opioid receptor | 1 |
| 6276540 | 10.1021/jm00142a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine