Compound Detail
CHEMBL1486503
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Basic Information
| ChEMBL ID | CHEMBL1486503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHGZIEVNZCTKMH-JGZRYLGSSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.35
ALogP
6
HBA
1
HBD
112.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.62
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.04 | 5.04 | 9084.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 4.62 | 4.62 | 23800.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.52 | 4.52 | 30100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 9084.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 15000.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Endoribonuclease toxin MazF | EC50 | = | 23800.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Heat shock factor protein 1 | EC50 | = | 30100.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine