Compound Detail
CHEMBL2017786
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 | CHEMBL2017786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUJSYRIHPYQIJY-WCTZXXKLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
-2.31
ALogP
8
HBA
7
HBD
203.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal CHEMBL4916 | IC50 | 4.29 | 4.29 | 51000.0 | 1 |
| Fructose-bisphosphate aldolase A CHEMBL4695 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal | IC50 | = | 51000.0 | nM | 4.29 | Inhibition of His-tagged recombinant Trypanosoma brucei fructose bis-phosphate a... | 24900268 |
| Fructose-bisphosphate aldolase A | IC50 | = | 64000.0 | nM | 4.19 | 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