Compound Detail
CHEMBL4753470
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N=C1N[C@H](O)C2C3OC4(O)O[C@@H]([C@@H](O)C2(N1)[C@@H]4O)[C@]3(O)CO
Basic Information
| ChEMBL ID | CHEMBL4753470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFMYXEVWODSLAX-IXUBDLNJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
-5.31
ALogP
9
HBA
9
HBD
187.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | EC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha | EC50 | = | 1.9 | nM | 8.72 | Inhibition of NaV1.5 (unknown origin) | 32896120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32896120 | 10.1021/acs.jnatprod.0c00623 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine