Compound Detail
CHEMBL1709293
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1709293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMBBLHWSKNDLKJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.61
ALogP
6
HBA
2
HBD
92.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase CHEMBL1287620 | IC50 | 6.33 | 6.33 | 469.3 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 6.11 | 6.11 | 772.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase | IC50 | = | 469.33 | nM | 6.33 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 772.41 | nM | 6.11 | PubChem BioAssay. Counterscreen for inhibitors of the fructose-bisphosphate aldo... | - |
Data from ChEMBL 36 via Core Engine