Compound Detail
CHEMBL2387332
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Cl.O=C(NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL2387332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUULKCXVYRWYPX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3039887 |
| Active Moiety | CHEMBL3039887 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
6.27
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 ... | 23623418 |
| Delta-type opioid receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN... | 23623418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Delta-type opioid receptor | 2 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine