Compound Detail
CHEMBL2017791
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
O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CCCc1ccccc1)COP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL2017791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRWVTMLZUHQBPJ-APIJFGDWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.3
MW (Da)
-0.96
ALogP
8
HBA
8
HBD
214.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal CHEMBL4916 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase, glycosomal | IC50 | = | 56000.0 | nM | 4.25 | Inhibition of His-tagged recombinant Trypanosoma brucei fructose bis-phosphate a... | 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