Compound Detail
CHEMBL1334412
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Basic Information
| ChEMBL ID | CHEMBL1334412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGVRZBLIJMLYFQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.84
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.43 | 5.43 | 3674.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.38 | 4.36 | 41300.0 | 2 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.04 | 4.04 | 91400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 3674.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 41300.0 | nM | 4.38 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 46100.0 | nM | 4.34 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 91400.0 | nM | 4.04 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
Data from ChEMBL 36 via Core Engine