Compound Detail
CHEMBL3977689
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Basic Information
| ChEMBL ID | CHEMBL3977689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZHKKWRCGDGTQN-UPFKWVMWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
-2.39
ALogP
6
HBA
8
HBD
165.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Sodium channel protein type 4 subunit alpha CHEMBL2072 | IC50 | 6.76 | 6.53 | 175.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha | IC50 | = | 55.0 | nM | 7.26 | Binding Assay: In initial studies, we designed a set of molecules with branching... | - |
| Sodium channel protein type 4 subunit alpha | IC50 | = | 175.0 | nM | 6.76 | Binding Assay: In initial studies, we designed a set of molecules with branching... | - |
| Sodium channel protein type 4 subunit alpha | IC50 | = | 500.0 | nM | 6.3 | Binding Assay: In initial studies, we designed a set of molecules with branching... | - |
Data from ChEMBL 36 via Core Engine