Compound Detail
CHEMBL2414703
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Basic Information
| ChEMBL ID | CHEMBL2414703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYPYXSLOGVUHEY-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
-0.09
ALogP
4
HBA
5
HBD
131.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.97
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.97 | 6.795 | 10.6 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.6 | nM | 7.97 | Inhibition of Plasmodium falciparum HGXPRT assessed as xanthine/guanine conversi... | 23810424 |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Competitive inhibition of Plasmodium falciparum HGPRT by Morrison method | 33891818 |
| Unchecked | Ki | = | 2400.0 | nM | 5.62 | Inhibition of hexa-his tagged Helicobacter pylori XGHPRT using guanine and PRib-... | 33891818 |
| Hypoxanthine-guanine phosphoribosyltransferase | IC50 | = | 4940.0 | nM | 5.31 | Competitive inhibition of human HGPRT by Morrison method | 33891818 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 4900.0 | nM | 5.31 | Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conve... | 23810424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33891818 | 10.1021/acs.jmedchem.0c02184 | Unchecked | 2 |
| 23810424 | 10.1016/j.bmc.2013.02.016 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 23810424 | 10.1016/j.bmc.2013.02.016 | Unchecked | 1 |
| 33891818 | 10.1021/acs.jmedchem.0c02184 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine