Compound Detail
CHEMBL1982521
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 | CHEMBL1982521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQIITAJPTKTJID-OVVQPSECSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.41
ALogP
5
HBA
1
HBD
80.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase CHEMBL1287620 | IC50 | 6.7 | 6.7 | 198.3 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 6.54 | 6.54 | 284.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase | IC50 | = | 198.29 | nM | 6.7 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 284.94 | nM | 6.54 | PubChem BioAssay. Counterscreen for inhibitors of the fructose-bisphosphate aldo... | - |
Data from ChEMBL 36 via Core Engine