Compound Detail
CHEMBL440626
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N/C(=N\CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)[C@@H]3O5)Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)[C@@H]3O5
Basic Information
| ChEMBL ID | CHEMBL440626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWMJSKMWXYAWJY-CDUJTHSNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1268.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2095192 | Ki | 7.26 | 7.26 | 54.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | Ki | = | 54.8 | nM | 7.26 | Compound was tested for binding affinity on intact HEK cells using [3H]diprenorp... | 15163177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163177 | 10.1021/jm0342358 | Mus musculus | 3 |
| 15163177 | 10.1021/jm0342358 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine