Compound Detail
CHEMBL4749016
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Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](CCCCN)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL4749016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKZZJCSTDBFLBU-ANITWDKYSA-N |
5
Targets
10
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1380.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.74
Ki 5 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurotensin receptor type 2 CHEMBL2514 | Ki | 9.49 | 9.49 | 0.3 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 8.74 | 8.74 | 1.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 7.31 | 7.31 | 48.6 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.18 | 6.35 | 65.4 | 2 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.68 | 6.68 | 208.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 6.62 | 6.62 | 239.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 6.61 | 6.61 | 248.0 | 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