Compound Detail
CHEMBL197132
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Basic Information
| ChEMBL ID | CHEMBL197132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJQUNJBCHWSKMF-UHFFFAOYSA-O |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
0.87
ALogP
3
HBA
5
HBD
139.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 CHEMBL4386 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase ex... | 16162013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392806 | 10.1021/jm0582625 | Hexokinase | 2 |
| 16162013 | 10.1021/jm058220g | Vacuolar-type proton translocating pyrophosphatase 1 | 1 |
| 16392806 | 10.1021/jm0582625 | KB | 1 |
| 16392806 | 10.1021/jm0582625 | Dictyostelium discoideum | 1 |
| 16392806 | 10.1021/jm0582625 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine