Compound Detail
CHEMBL593613
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Basic Information
| ChEMBL ID | CHEMBL593613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFYXROWBOMSTBN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.00
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 121.0 | nM | 6.92 | Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in HEK293 c... | 19646882 |
| Kappa-type opioid receptor | IC50 | = | 760.0 | nM | 6.12 | Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 ce... | 19646882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19646882 | 10.1016/j.bmc.2009.07.007 | Delta-type opioid receptor | 4 |
| 19646882 | 10.1016/j.bmc.2009.07.007 | Unchecked | 2 |
| 19646882 | 10.1016/j.bmc.2009.07.007 | Mu-type opioid receptor | 1 |
| 19646882 | 10.1016/j.bmc.2009.07.007 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine