Compound Detail
CHEMBL1172244
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CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL1172244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVNNVFIQARDNCG-SXACLTSNSA-N |
5
Targets
9
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1381.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.9
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 6.9 | 6.9 | 125.9 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.47 | 6.435 | 340.0 | 2 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.91 | 5.91 | 1240.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | - | - | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Mu-type opioid receptor | 3 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Delta-type opioid receptor | 3 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Gastrin/cholecystokinin type B receptor | 2 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Melanocortin receptor 4 | 2 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Unchecked | 2 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine