Compound Detail
CHEMBL3786675
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Basic Information
| ChEMBL ID | CHEMBL3786675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXEUXKSOBMBISK-RWLBOTFQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.54
ALogP
4
HBA
2
HBD
60.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.16 | 9.16 | 0.7 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.13 | 9.13 | 0.7 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.92 | 7.92 | 12.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.692 | nM | 9.16 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell me... | 27079125 |
| Kappa-type opioid receptor | Ki | = | 0.748 | nM | 9.13 | Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO c... | 27079125 |
| Delta-type opioid receptor | Ki | = | 12.1 | nM | 7.92 | Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell... | 27079125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27079125 | 10.1016/j.bmc.2016.03.040 | Unchecked | 2 |
| 27079125 | 10.1016/j.bmc.2016.03.040 | Mu-type opioid receptor | 1 |
| 27079125 | 10.1016/j.bmc.2016.03.040 | Delta-type opioid receptor | 1 |
| 27079125 | 10.1016/j.bmc.2016.03.040 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine