Compound Detail
CHEMBL3416931
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CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@H](C(=O)N[C@@H](Cc4ccccc4)C(N)=O)C(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC2=O
Basic Information
| ChEMBL ID | CHEMBL3416931 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GRYVZXPJYFDBIS-PHGCRLBGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
4055.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clam... | 25658507 |
| Sodium channel protein type 4 subunit alpha | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clam... | 25658507 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human NaV1.5 at -140 mV holding potential by whole-cell patch clam... | 25658507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25658507 | 10.1021/jm501765v | Sodium channel protein type 9 subunit alpha | 1 |
| 25658507 | 10.1021/jm501765v | Sodium channel protein type 5 subunit alpha | 1 |
| 25658507 | 10.1021/jm501765v | Sodium channel protein type 4 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine