Compound Detail
CHEMBL1448067
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Basic Information
| ChEMBL ID | CHEMBL1448067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFVXIJBRKAUYAT-MDWZMJQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.71
ALogP
7
HBA
1
HBD
79.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 12 member 2/member 5 CHEMBL3885641 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 4.81 | 4.81 | 15415.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 12 member 2/member 5 | IC50 | = | 300.0 | nM | 6.52 | PUBCHEM_BIOASSAY: Identification of Novel Modulators of Cl- dependent Transport ... | - |
| NS3 | IC50 | = | 15415.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine