Compound Detail
CHEMBL1608811
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Basic Information
| ChEMBL ID | CHEMBL1608811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYURDMGWTPAOKT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
3.07
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase CHEMBL1287620 | IC50 | 6.32 | 6.32 | 484.6 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.88 | 5.88 | 1319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase | IC50 | = | 484.64 | nM | 6.32 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 1319.0 | nM | 5.88 | PubChem BioAssay. Counterscreen for inhibitors of the fructose-bisphosphate aldo... | - |
Data from ChEMBL 36 via Core Engine