Compound Detail
CHEMBL83231
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Basic Information
| ChEMBL ID | CHEMBL83231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKZFMOOVTIQLDS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.2
MW (Da)
6.18
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 4.93 | 4.5967 | 11800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 11800.0 | nM | 4.93 | Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phos... | 12773058 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 28800.0 | nM | 4.54 | Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltr... | 12773058 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 48100.0 | nM | 4.32 | Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribos... | 12773058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773058 | 10.1021/jm030061i | Hypoxanthine-guanine phosphoribosyltransferase | 3 |
Data from ChEMBL 36 via Core Engine