Compound Detail
CHEMBL199843
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Basic Information
| ChEMBL ID | CHEMBL199843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMMLULMJUIHKNA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
295.2
MW (Da)
-0.40
ALogP
5
HBA
3
HBD
130.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase class 2 CHEMBL4912 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase class 2 | Ki | = | 100000.0 | nM | 4.0 | Inhibitory activity against class II FBP aldolase from Escherichia coli | 16236509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16236509 | 10.1016/j.bmcl.2005.09.006 | Fructose-bisphosphate aldolase A | 1 |
| 16236509 | 10.1016/j.bmcl.2005.09.006 | Fructose-bisphosphate aldolase class 2 | 1 |
Data from ChEMBL 36 via Core Engine