Compound Detail
CHEMBL375412
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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](Cc1c[nH]c2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL375412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHFDBKUCTFELLO-WMRIFXDUSA-N |
6
Targets
14
Activities
3
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1034.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.92
EC50 4 meas. best 8.03
Ki 4 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 9.29 | 9.29 | 0.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.03 | 8.03 | 9.3 | 2 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 8.02 | 8.015 | 9.6 | 2 |
| 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 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.03 | 5.03 | 9332.5 | 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 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 59.0 | 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