Compound Detail
CHEMBL413890
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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](Cc1ccccc1)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 | CHEMBL413890 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RVXSASLSNHDASC-OSWDIKPLSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3358.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Kd 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL4720 | IC50 | 8.43 | 8.43 | 3.8 | 1 |
| Glucagon receptor CHEMBL1985 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| ADMET CHEMBL612558 | Kd | 7.25 | 7.25 | 56.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 3.75 | nM | 8.43 | Compound was evaluated for its ability to displace radiolabeled glucagon | 11311060 |
| Glucagon receptor | IC50 | = | 14.08 | nM | 7.85 | Displacement of 125I-glucagon from human GCGR expressed in HEK293 cells membrane... | 33821647 |
| ADMET | Kd | = | 56.23 | nM | 7.25 | pA2 value, a dose-response plot was obtained by determining the response when th... | 11311060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33821647 | 10.1021/acs.jmedchem.0c02069 | Glucagon receptor | 6 |
| 11311060 | 10.1021/jm000453e | Glucagon receptor | 1 |
| 11311060 | 10.1021/jm000453e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine