Compound Detail
CHEMBL4750783
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C)C1=O
Basic Information
| ChEMBL ID | CHEMBL4750783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZDNJIOWZQXYGZ-ZJSCUCBRSA-N |
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1350.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.21
EC50 4 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.34 | 6.505 | 45.6 | 2 |
| Neurotensin receptor type 2 CHEMBL2514 | Ki | 7.12 | 7.12 | 75.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.68 | 6.68 | 209.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 6.08 | 6.08 | 842.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 5.81 | 5.81 | 1556.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | Ki | 5.17 | 5.17 | 6830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32902268 | 10.1021/acs.jmedchem.0c01376 | Mu-type opioid receptor | 6 |
| 32902268 | 10.1021/acs.jmedchem.0c01376 | Delta-type opioid receptor | 3 |
| 32902268 | 10.1021/acs.jmedchem.0c01376 | Kappa-type opioid receptor | 3 |
| 32902268 | 10.1021/acs.jmedchem.0c01376 | Neurotensin receptor type 1 | 3 |
| 32902268 | 10.1021/acs.jmedchem.0c01376 | Neurotensin receptor type 2 | 1 |
| 32902268 | 10.1021/acs.jmedchem.0c01376 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine