Compound Detail
CHEMBL1730100
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Basic Information
| ChEMBL ID | CHEMBL1730100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNNSUZPWERIYIL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.08
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.19 | 4.805 | 6490.0 | 2 |
| Troponin, cardiac muscle CHEMBL2095202 | IC50 | 4.78 | 4.78 | 16579.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 6490.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Troponin, cardiac muscle | IC50 | = | 16579.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 37800.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
Data from ChEMBL 36 via Core Engine