Compound Detail
CHEMBL414087
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CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)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 | CHEMBL414087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STEAMACHIRWBBH-RXFVQNAMSA-N |
6
Targets
14
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1132.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.8
EC50 3 meas. best 7.8
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.8 | 6.4 | 15.8 | 2 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.19 | 6.94 | 64.6 | 2 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.13 | 7.13 | 74.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 7.13 | 7.08 | 74.1 | 2 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 4.45 | 4.45 | 35481.3 | 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 |
| 17201419 | 10.1021/jm061268p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine