Compound Detail
CHEMBL333503
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Basic Information
| ChEMBL ID | CHEMBL333503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCHCIFWASFRZQF-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
2.04
ALogP
3
HBA
5
HBD
127.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 CHEMBL4386 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
| Dictyostelium discoideum CHEMBL612373 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vacuolar-type proton translocating pyrophosphatase 1 | IC50 | = | 13300.0 | nM | 4.88 | Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase ex... | 16162013 |
| Dictyostelium discoideum | IC50 | = | 75000.0 | nM | 4.12 | Cytotoxicity to Dictyostelium discoideum | 16392806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149863 | 10.1021/jm060492b | Escherichia coli | 3 |
| 14711309 | 10.1021/jm0303709 | Unchecked | 2 |
| 16392806 | 10.1021/jm0582625 | Hexokinase | 2 |
| 15857119 | 10.1021/jm040132t | HFF | 1 |
| 16162013 | 10.1021/jm058220g | Vacuolar-type proton translocating pyrophosphatase 1 | 1 |
| 16392806 | 10.1021/jm0582625 | KB | 1 |
| 16392806 | 10.1021/jm0582625 | ADMET | 1 |
| 16392806 | 10.1021/jm0582625 | Dictyostelium discoideum | 1 |
Data from ChEMBL 36 via Core Engine