Compound Detail
CHEMBL5084333
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CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N4C[C@@H](O)C[C@H]4C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]4CCCN4C1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC2=O
Basic Information
| ChEMBL ID | CHEMBL5084333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAZZCOHRYBPQRO-UVTNKDQESA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
3327.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.02 | 8.02 | 9.5 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | EC50 | 7.3 | 7.3 | 50.4 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | EC50 | 6.89 | 6.89 | 129.0 | 1 |
| Sodium channel protein type 8 subunit alpha CHEMBL1914275 | EC50 | 6.83 | 6.83 | 147.6 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | EC50 | 6.81 | 6.81 | 155.6 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | EC50 | 6.77 | 6.77 | 171.5 | 1 |
| Sodium channel protein type 3 subunit alpha CHEMBL4966 | EC50 | 6.77 | 6.77 | 170.2 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | EC50 | 6.09 | 6.09 | 810.6 | 1 |
| Artemia salina CHEMBL612341 | EC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Artemia salina | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 1 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 2 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 3 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 4 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 5 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 8 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 9 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Sodium channel protein type 10 subunit alpha | 1 |
| 34445875 | 10.1021/acs.jnatprod.1c00104 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine