Compound Detail
CHEMBL406893
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC1CC1)CC1CC1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL406893 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XMFJUPAXGQSFIW-FOMVZIENSA-N |
4
Targets
9
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1470.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.72
IC50 3 meas. best 8.48
Kd 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.72 | 8.55 | 0.2 | 3 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 8.48 | 7.4767 | 3.3 | 3 |
| Mu-type opioid receptor CHEMBL270 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 7.3 | 7.3 | 50.1 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276018 | 10.1021/jm960747t | Kappa-type opioid receptor | 7 |
| 9276018 | 10.1021/jm960747t | Cavia porcellus | 2 |
| 9276018 | 10.1021/jm960747t | Mu-type opioid receptor | 1 |
| 9276018 | 10.1021/jm960747t | Delta-type opioid receptor | 1 |
| 9276018 | 10.1021/jm960747t | Opioid receptors; mu/kappa/delta | 1 |
| 9276018 | 10.1021/jm960747t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine