Compound Detail
CHEMBL438045
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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL438045 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZAEWNVLHJIPMOU-QLAGZBKGSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
3211.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Kd 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | Kd | 8.2 | 8.2 | 6.3 | 1 |
| Glucagon receptor CHEMBL4720 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | Kd | = | 6.31 | nM | 8.2 | pA2 value, a dose-response plot was obtained by determining the response when th... | 11311060 |
| Glucagon receptor | IC50 | = | 48.0 | nM | 7.32 | Compound was evaluated for its ability to displace radiolabeled glucagon | 11311060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311060 | 10.1021/jm000453e | Glucagon receptor | 1 |
| 11311060 | 10.1021/jm000453e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine