Compound Detail
CHEMBL199206
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Basic Information
| ChEMBL ID | CHEMBL199206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICYNSVBEDPIFIU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
1.59
ALogP
3
HBA
5
HBD
135.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 CHEMBL4386 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 | IC50 | = | 8000.0 | nM | 5.1 | 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 |
Data from ChEMBL 36 via Core Engine