Compound Detail
CHEMBL3617067
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
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3617067 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KBMOQADPISZNMQ-NNOVXWPFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
3993.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Sodium channel protein type 3 subunit alpha CHEMBL4966 | IC50 | 6.43 | 6.43 | 375.0 | 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 | = | 21.0 | nM | 7.68 | Inhibition of human NaV1.7 channel by patch clamp electrophysiology assay | 25927480 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 36.0 | nM | 7.44 | Inhibition of rat NaV1.2 channel | 25927480 |
| Sodium channel protein type 3 subunit alpha | IC50 | = | 375.0 | nM | 6.43 | Inhibition of rat NaV1.3 channel | 25927480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25927480 | 10.1021/jm501981g | Sodium channel protein type 5 subunit alpha | 1 |
| 25927480 | 10.1021/jm501981g | Sodium channel protein type 4 subunit alpha | 1 |
| 25927480 | 10.1021/jm501981g | Sodium channel protein type 3 subunit alpha | 1 |
| 25927480 | 10.1021/jm501981g | Sodium channel protein type 2 subunit alpha | 1 |
| 25927480 | 10.1021/jm501981g | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine