Compound Detail
CHEMBL438741
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL438741 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XGEAMMXPZMVORY-QCMAZGQWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1617.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.74
IC50 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 10.74 | 10.74 | 0.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 10.62 | 10.62 | 0.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| Opioid receptor (mu and kappa) CHEMBL2111465 | IC50 | 9.19 | 9.19 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.018 | nM | 10.74 | Inhibition of [3H]DAMGO to opioid receptor mu of rat fore brain membranes was de... | 1360025 |
| Kappa-type opioid receptor | Ki | = | 0.024 | nM | 10.62 | Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral ... | 1360025 |
| Delta-type opioid receptor | Ki | = | 0.42 | nM | 9.38 | Inhibition of [3H]DPDPE to opioid receptor delta of rat fore brain membranes was... | 1360025 |
| Opioid receptor (mu and kappa) | IC50 | = | 0.64 | nM | 9.19 | Opioid receptor activity in guinea pig ileum | 1360025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1360025 | 10.1021/jm00101a010 | Kappa-type opioid receptor | 2 |
| 1360025 | 10.1021/jm00101a010 | Cavia porcellus | 1 |
| 1360025 | 10.1021/jm00101a010 | Mu-type opioid receptor | 1 |
| 1360025 | 10.1021/jm00101a010 | Delta-type opioid receptor | 1 |
| 1360025 | 10.1021/jm00101a010 | Opioid receptor (mu and kappa) | 1 |
Data from ChEMBL 36 via Core Engine