Compound Detail
CHEMBL88057
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Basic Information
| ChEMBL ID | CHEMBL88057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCCCYHFOLZSYRQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.2
MW (Da)
5.89
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 6.3 | 5.55 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 500.0 | nM | 6.3 | Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phos... | 12773058 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 16000.0 | nM | 4.8 | Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltr... | 12773058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773058 | 10.1021/jm030061i | Hypoxanthine-guanine phosphoribosyltransferase | 3 |
Data from ChEMBL 36 via Core Engine