Compound Detail
CHEMBL125188
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Basic Information
| ChEMBL ID | CHEMBL125188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEOJDEIONFJDDO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.1
MW (Da)
0.14
ALogP
5
HBA
5
HBD
178.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 CHEMBL4386 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.32 | 4.32 | 47900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 | IC50 | = | 16700.0 | nM | 4.78 | Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase ex... | 16162013 |
| HFF | IC50 | = | 47900.0 | nM | 4.32 | In vitro inhibitory concentration against the growth of Toxoplasma gondii in hum... | 15857119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711309 | 10.1021/jm0303709 | Unchecked | 2 |
| 16162013 | 10.1021/jm058220g | Vacuolar-type proton translocating pyrophosphatase 1 | 2 |
| 15857119 | 10.1021/jm040132t | HFF | 1 |
| 16162013 | 10.1021/jm058220g | KB | 1 |
Data from ChEMBL 36 via Core Engine