Compound Detail
CHEMBL3617050
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
N=C1N[C@@]23[C@H]([C@H]4NC(=N)N2C[C@](OS(=O)(=O)O)(C[C@H]2[C@@H](CO)CON2C4=O)C3(O)O)N1COC(=O)NO
Basic Information
| ChEMBL ID | CHEMBL3617050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJJIKPMJNDTIHW-FGWFJEOOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
-5.42
ALogP
13
HBA
10
HBD
290.6
PSA (Ų)
0.07
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | IC50 | 10.21 | 10.21 | 0.1 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha | IC50 | = | 0.062 | nM | 10.21 | Inhibition of NaV1.4 channel (unknown origin) expressed in Xenopus laevis oocyte... | 25927480 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 0.28 | nM | 9.55 | Inhibition of NaV1.5 channel (unknown origin) expressed in Xenopus laevis oocyte... | 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 2 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine