Compound Detail
CHEMBL525818
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N=C(N)NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@H](C(N)=O)CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL525818 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PRXVBAUMWHTDJW-HEDOAMBMSA-N |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1884.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 8.52
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | Kd | 7.3 | 7.3 | 50.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL3312 | Kd | 6.54 | 6.54 | 290.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL4906 | Kd | 6.54 | 6.54 | 290.0 | 1 |
| Sodium channel protein type 3 subunit alpha CHEMBL4966 | Kd | 5.34 | 5.34 | 4600.0 | 1 |
| Sodium channel protein type 3 subunit alpha CHEMBL4966 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17724025 | 10.1074/jbc.m704616200 | Mus musculus | 5 |
| 17724025 | 10.1074/jbc.m704616200 | Unchecked | 4 |
| 17724025 | 10.1074/jbc.m704616200 | Sodium channel protein type 4 subunit alpha | 3 |
| 17724025 | 10.1074/jbc.m704616200 | Sodium channel protein type 2 subunit alpha | 2 |
| 17724025 | 10.1074/jbc.m704616200 | Sodium channel protein type 3 subunit alpha | 2 |
| 17724025 | 10.1074/jbc.m704616200 | Sodium channel protein type 10 subunit alpha | 1 |
| 17724025 | 10.1074/jbc.m704616200 | Sodium channel protein type 1 subunit alpha | 1 |
| 17724025 | 10.1074/jbc.m704616200 | Sodium channel protein type 5 subunit alpha | 1 |
| 17724025 | 10.1074/jbc.m704616200 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine