Compound Detail
CHEMBL2151245
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CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cc2C)cc1.Cl
Basic Information
| ChEMBL ID | CHEMBL2151245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFWCHEVUIOLGKL-PVDQMAJASA-N |
| Parent Compound | CHEMBL2221035 |
| Active Moiety | CHEMBL2221035 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1032.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu and delta CHEMBL2221343 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu and delta | Ki | = | 2.512 | nM | 8.6 | Displacement of [3H]-DPDPE from mouse MOR/DOR expressed in HEK293 cells | 23585918 |
| Delta-type opioid receptor | Ki | = | 19.95 | nM | 7.7 | Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells | 23585918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23585918 | 10.1021/ml300083p | Opioid receptors; mu and delta | 2 |
| 23585918 | 10.1021/ml300083p | Delta-type opioid receptor | 1 |
| 23585918 | 10.1021/ml300083p | Unchecked | 1 |
| 23585918 | 10.1021/ml300083p | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine