Compound Detail
CHEMBL409172
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NC(=NCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)[C@H]3O5
Basic Information
| ChEMBL ID | CHEMBL409172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPMMJWDWNHVLIZ-HJDOAPAESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1282.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2095192 | Ki | 8.96 | 8.905 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | Ki | = | 1.1 | nM | 8.96 | Compound was tested for binding affinity on intact HEK cells using [3H]diprenorp... | 15163177 |
| Opioid receptor | Ki | = | 1.4 | nM | 8.85 | 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 | 4 |
| 15163177 | 10.1021/jm0342358 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine