Compound Detail
CHEMBL407198
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CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL407198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXHWDEQNHXTHJU-AYMWOJQISA-N |
6
Targets
16
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1032.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.92
Ki 4 meas. best 9.3
EC50 3 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 8.92 | 8.47 | 1.2 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.49 | 8.255 | 3.2 | 2 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | EC50 | 8.34 | 8.34 | 4.6 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 8.34 | 6.685 | 4.6 | 2 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.03 | 8.03 | 9.4 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 7.02 | 7.02 | 96.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 4.99 | 4.99 | 10232.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17201419 | 10.1021/jm061268p | Delta-type opioid receptor | 6 |
| 17201419 | 10.1021/jm061268p | Mu-type opioid receptor | 6 |
| 17201419 | 10.1021/jm061268p | Gastrin/cholecystokinin type B receptor | 5 |
| 17201419 | 10.1021/jm061268p | Cholecystokinin receptor type A | 3 |
Data from ChEMBL 36 via Core Engine