Compound Detail
CHEMBL386212
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CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)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 | CHEMBL386212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYWMQIRORZGHDH-QOIWPSRPSA-N |
6
Targets
14
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1032.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.59
Ki 4 meas. best 8.96
EC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.59 | 8.145 | 2.6 | 2 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 7.54 | 7.335 | 28.8 | 2 |
| Mu-type opioid receptor CHEMBL270 | EC50 | 7.12 | 7.12 | 75.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 5.15 | 5.15 | 7079.5 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.11 | 5.11 | 7762.5 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 5.11 | 5.11 | 7700.0 | 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 | Cholecystokinin receptor type A | 2 |
| 17201419 | 10.1021/jm061268p | Gastrin/cholecystokinin type B receptor | 2 |
Data from ChEMBL 36 via Core Engine