Compound Detail
CHEMBL3416938
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCC[C@@H]1NC(=O)[C@H](C)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 | CHEMBL3416938 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VRBQNSZJFJWBOX-PNZSKDCGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
3979.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | IC50 | 5.58 | 5.58 | 2600.0 | 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 | = | 10.0 | nM | 8.0 | Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clam... | 25658507 |
| Sodium channel protein type 4 subunit alpha | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clam... | 25658507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25658507 | 10.1021/jm501765v | Unchecked | 2 |
| 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