Compound Detail
CHEMBL200107
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Basic Information
| ChEMBL ID | CHEMBL200107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIIFWEAZXJDTSZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.2
MW (Da)
2.48
ALogP
3
HBA
5
HBD
135.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase CHEMBL4151 | IC50 | 5.64 | 5.64 | 2290.0 | 2 |
| Farnesyl pyrophosphate synthase CHEMBL3693 | IC50 | 4.91 | 4.91 | 12280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase | IC50 | = | 2290.0 | nM | 5.64 | Inhibitory activity against Trypanosoma cruzi hexokinase | 16392806 |
| Hexokinase | IC50 | = | 2290.87 | nM | 5.64 | Inhibitory activity against Trypanosoma cruzi hexokinase | 16392806 |
| Farnesyl pyrophosphate synthase | IC50 | = | 12280.0 | nM | 4.91 | Inhibitory activity against FPPS in Leishmania major | 16392806 |
| Farnesyl pyrophosphate synthase | IC50 | = | 12302.69 | nM | 4.91 | Inhibitory activity against FPPS in Leishmania major | 16392806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392806 | 10.1021/jm0582625 | Hexokinase | 2 |
| 16392806 | 10.1021/jm0582625 | Farnesyl pyrophosphate synthase | 2 |
Data from ChEMBL 36 via Core Engine