Compound Detail
CHEMBL4515943
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NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@@]3(O)CO
Basic Information
| ChEMBL ID | CHEMBL4515943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFMYXEVWODSLAX-BWPPGMJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
-5.52
ALogP
11
HBA
8
HBD
190.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 33.0 | nM | 7.48 | Inhibition of NaV in mouse Neuro2a cells assessed as suppression of ouabain/vera... | 31117524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117524 | 10.1021/acs.jnatprod.9b00178 | Unchecked | 3 |
| 31117524 | 10.1021/acs.jnatprod.9b00178 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine