Compound Detail
CHEMBL1278173
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Basic Information
| ChEMBL ID | CHEMBL1278173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEIMCLOQPHTQIO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.56
ALogP
6
HBA
3
HBD
133.6
PSA (Ų)
0.10
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase CHEMBL1287619 | Ki | 6.1 | 6.095 | 800.0 | 2 |
| Fructose-bisphosphate aldolase A CHEMBL4695 | Ki | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase | Ki | = | 800.0 | nM | 6.1 | Inhibition of Candida albicans zinc dependent class 2 Fba | 20929256 |
| Fructose-bisphosphate aldolase | Ki | = | 815.0 | nM | 6.09 | Inhibition of Candida albicans zinc dependent class 2 Fba | 20929256 |
| Fructose-bisphosphate aldolase A | Ki | = | 67000.0 | nM | 4.17 | Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia ... | 20929256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20929256 | 10.1021/jm1009814 | Fructose-bisphosphate aldolase | 4 |
| 20929256 | 10.1021/jm1009814 | Unchecked | 4 |
| 20929256 | 10.1021/jm1009814 | Fructose-bisphosphate aldolase A | 1 |
| 20929256 | 10.1021/jm1009814 | Fructose-bisphosphate aldolase class II | 1 |
Data from ChEMBL 36 via Core Engine