Compound Detail
CHEMBL4873456
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Basic Information
| ChEMBL ID | CHEMBL4873456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHRMUHPABRXBKK-UHFFFAOYSA-L |
| Parent Compound | CHEMBL5028878 |
| Active Moiety | CHEMBL5028878 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
-0.03
ALogP
6
HBA
3
HBD
124.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.77 | 4.455 | 17000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 17000.0 | nM | 4.77 | Inhibition of Plasmodium falciparum HGXPRT using PRib-PP as substrate by Hanes-p... | 33887682 |
| Unchecked | Ki | = | 72000.0 | nM | 4.14 | Inhibition of Plasmodium vivax HGPRT using PRib-PP as substrate by Hanes-plot ba... | 33887682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33887682 | 10.1016/j.ejmech.2021.113416 | Unchecked | 4 |
| 33887682 | 10.1016/j.ejmech.2021.113416 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine