Compound Detail
CHEMBL4800532
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Basic Information
| ChEMBL ID | CHEMBL4800532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLQSBRVVFUIJEP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4804127 |
| Active Moiety | CHEMBL4804127 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
3.64
ALogP
3
HBA
2
HBD
55.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.85 | 7.85 | 14.1 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.27 | 6.27 | 537.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.14 | 6.14 | 718.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 14.1 | nM | 7.85 | Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in CHO cells in... | 31982651 |
| Delta-type opioid receptor | Ki | = | 537.0 | nM | 6.27 | Displacement of [3H]-DPDPE from rat delta opioid receptor expressed in CHO cells... | 31982651 |
| Kappa-type opioid receptor | Ki | = | 718.6 | nM | 6.14 | Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO ce... | 31982651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31982651 | 10.1016/j.ejmech.2020.112070 | Mu-type opioid receptor | 1 |
| 31982651 | 10.1016/j.ejmech.2020.112070 | Delta-type opioid receptor | 1 |
| 31982651 | 10.1016/j.ejmech.2020.112070 | Kappa-type opioid receptor | 1 |
| 31982651 | 10.1016/j.ejmech.2020.112070 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine