Compound Detail
CHEMBL1797687
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Basic Information
| ChEMBL ID | CHEMBL1797687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDXGFIXMPOUDFF-DIAVIDTQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
3.22
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.03 | nM | 10.52 | Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum h... | 21641798 |
| Mu-type opioid receptor | Ki | = | 0.2 | nM | 9.7 | Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homoge... | 21641798 |
| Unchecked | Ki | = | 0.9 | nM | 9.05 | Displacement of [3H]NTI from delta opioid receptor in guinea pig forebrain homog... | 21641798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21641798 | 10.1016/j.bmcl.2011.04.147 | Unchecked | 2 |
| 21641798 | 10.1016/j.bmcl.2011.04.147 | Mu-type opioid receptor | 1 |
| 21641798 | 10.1016/j.bmcl.2011.04.147 | Kappa-type opioid receptor | 1 |
| 21641798 | 10.1016/j.bmcl.2011.04.147 | Opioid receptor (mu and kappa) | 1 |
Data from ChEMBL 36 via Core Engine