Compound Detail
CHEMBL405192
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CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL405192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYNMVGGOTRCWGJ-CHAGIDMDSA-N |
6
Targets
14
Activities
3
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1134.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.26
EC50 4 meas. best 8.02
Ki 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | EC50 | 8.02 | 8.02 | 9.5 | 2 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.57 | 7.57 | 26.9 | 2 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.23 | 7.23 | 59.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 5.39 | 5.39 | 4073.8 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 14.0 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509592 | 10.1021/jm050851n | Delta-type opioid receptor | 6 |
| 16509592 | 10.1021/jm050851n | Mu-type opioid receptor | 6 |
| 16509592 | 10.1021/jm050851n | Cholecystokinin receptor type A | 2 |
| 16509592 | 10.1021/jm050851n | Gastrin/cholecystokinin type B receptor | 2 |
| 16509592 | 10.1021/jm050851n | Cholecystokinin receptor | 2 |
Data from ChEMBL 36 via Core Engine