Compound Detail
CHEMBL1917113
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CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1917113 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GBVQMNKAEKZCID-FDISYFBBSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1163.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
| Sodium channel protein type 8 subunit alpha CHEMBL1914275 | IC50 | 4.4 | 4.4 | 39600.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | IC50 | 4.26 | 4.26 | 54300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | IC50 | = | 13300.0 | nM | 4.88 | Inhibition of rat Nav1.2 expressed in Xenopus oocytes assessed as blockage of vo... | 21962108 |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 39600.0 | nM | 4.4 | Inhibition of mouse Nav1.6 expressed in Xenopus oocytes assessed as blockage of ... | 21962108 |
| Sodium channel protein type 4 subunit alpha | IC50 | = | 54300.0 | nM | 4.26 | Inhibition of rat Nav1.4 expressed in Xenopus oocytes assessed as blockage of vo... | 21962108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21962108 | 10.1021/jm200839a | Sodium channel protein type 2 subunit alpha | 2 |
| 21962108 | 10.1021/jm200839a | Sodium channel protein type 3 subunit alpha | 2 |
| 21962108 | 10.1021/jm200839a | Sodium channel protein type 4 subunit alpha | 2 |
| 21962108 | 10.1021/jm200839a | Sodium channel protein type 5 subunit alpha | 2 |
| 21962108 | 10.1021/jm200839a | Sodium channel protein type 8 subunit alpha | 2 |
| 21962108 | 10.1021/jm200839a | Sodium channel protein type 9 subunit alpha | 2 |
| 21962108 | 10.1021/jm200839a | Sodium channel protein type 1 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine