Compound Detail
CHEMBL443601
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Basic Information
| ChEMBL ID | CHEMBL443601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMYGNTXDYGVULQ-ZBFHGGJFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
1.72
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 9.5 | nM | 8.02 | Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells | 19027293 |
| Kappa-type opioid receptor | Ki | = | 350.0 | nM | 6.46 | Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cel... | 19027293 |
| Delta-type opioid receptor | Ki | = | 2400.0 | nM | 5.62 | Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CH... | 19027293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Unchecked | 2 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Kappa-type opioid receptor | 1 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Delta-type opioid receptor | 1 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine