Compound Detail
CHEMBL3968604
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Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1ccn(COP(=O)(O)O)c(=O)c1
Basic Information
| ChEMBL ID | CHEMBL3968604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSCBQHPCUKAFNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.3
MW (Da)
4.43
ALogP
6
HBA
3
HBD
127.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL4017 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha | IC50 | = | 86.0 | nM | 7.07 | Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... | - |
| Unchecked | IC50 | = | 86.0 | nM | 7.07 | Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... | - |
Data from ChEMBL 36 via Core Engine