Compound Detail
CHEMBL1172251
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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)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL1172251 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZUUGDHAKGUQZKD-IDLZVHLMSA-N |
7
Targets
12
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1457.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.9
Ki 4 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.9 | 5.895 | 1258.9 | 2 |
| Cholecystokinin receptor type A CHEMBL1901 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 5.6 | 5.6 | 2511.9 | 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 | Melanocortin receptor 4 | 2 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Unchecked | 2 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Gastrin/cholecystokinin type B receptor | 2 |
| 20547453 | 10.1016/j.bmcl.2010.05.078 | Cholecystokinin receptor type A | 2 |
Data from ChEMBL 36 via Core Engine