Compound Detail
CHEMBL1330204
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Basic Information
| ChEMBL ID | CHEMBL1330204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZPIBINNNLSKNQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.69
ALogP
3
HBA
1
HBD
52.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase CHEMBL1287620 | IC50 | 6.29 | 6.29 | 518.4 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 6.06 | 6.06 | 878.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase | IC50 | = | 518.41 | nM | 6.29 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 878.8 | nM | 6.06 | PubChem BioAssay. Counterscreen for inhibitors of the fructose-bisphosphate aldo... | - |
Data from ChEMBL 36 via Core Engine