Compound Detail
CHEMBL2017785
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 | CHEMBL2017785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXWUAOXRWVSNDB-DBRKOABJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.2
MW (Da)
-2.70
ALogP
8
HBA
7
HBD
203.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal CHEMBL4916 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Fructose-bisphosphate aldolase A CHEMBL4695 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of His-tagged recombinant Trypanosoma brucei fructose bis-phosphate a... | 24900268 |
| Fructose-bisphosphate aldolase A | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectr... | 24900268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900268 | 10.1021/ml200129s | Fructose-bisphosphate aldolase, glycosomal | 2 |
| 24900268 | 10.1021/ml200129s | Fructose-bisphosphate aldolase A | 1 |
Data from ChEMBL 36 via Core Engine