Compound Detail
CHEMBL1494390
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Basic Information
| ChEMBL ID | CHEMBL1494390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHTVWVPIFXIBKA-WEVVVXLNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.2
MW (Da)
3.81
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.36 | 5.36 | 4345.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 5.17 | 5.17 | 6724.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 4.94 | 4.94 | 11403.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.75 | 17625.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 4345.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| H9c2 | IC50 | = | 6724.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 11403.0 | nM | 4.94 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
| Unchecked | IC50 | = | 17625.0 | nM | 4.75 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Data from ChEMBL 36 via Core Engine