Compound Detail
CHEMBL2369370
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2369370 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SKMWAJVFHBLZHW-CXWHUAPYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1063.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.18
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 6.61 | nM | 8.18 | In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell memb... | 12747782 |
| Mu-type opioid receptor | Ki | = | 3100.0 | nM | 5.51 | In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes us... | 12747782 |
| Kappa-type opioid receptor | IC50 | = | 4000.0 | nM | 5.4 | Antagonistic activity in the Opioid receptor kappa 1 -mediated [35S]GTP-gamma-S,... | 12747782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747782 | 10.1021/jm020125+ | Kappa-type opioid receptor | 4 |
| 12747782 | 10.1021/jm020125+ | Mu-type opioid receptor | 1 |
| 12747782 | 10.1021/jm020125+ | Delta-type opioid receptor | 1 |
| 12747782 | 10.1021/jm020125+ | Opioid receptors; mu/kappa/delta | 1 |
Data from ChEMBL 36 via Core Engine