Compound Detail
CHEMBL3394313
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Basic Information
| ChEMBL ID | CHEMBL3394313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPIOJYPMKSUOAQ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
439.3
MW (Da)
-1.21
ALogP
8
HBA
5
HBD
191.1
PSA (Ų)
0.20
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.4 | 6.832 | 40.0 | 5 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 40.0 | nM | 7.4 | Inhibition of Plasmodium vivax HGPRT | 25494538 |
| Unchecked | Ki | = | 40.0 | nM | 7.4 | Inhibition of Plasmodium vivax HGPRT using PRib-PP as substrate by Hanes-plot ba... | 33887682 |
| Unchecked | Ki | = | 200.0 | nM | 6.7 | Inhibition of Plasmodium falciparum HGPRT | 25494538 |
| Unchecked | Ki | = | 200.0 | nM | 6.7 | Inhibition of Plasmodium falciparum HGXPRT using PRib-PP as substrate by Hanes-p... | 33887682 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 1000.0 | nM | 6.0 | Inhibition of human HGPRT | 25494538 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 1000.0 | nM | 6.0 | Inhibition of human HGPRT using PRib-PP as substrate by Hanes-plot based method | 33887682 |
| Unchecked | Ki | = | 1100.0 | nM | 5.96 | Inhibition of hexa-his tagged Helicobacter pylori XGHPRT using guanine and PRib-... | 33891818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25494538 | 10.1021/jm501416t | Unchecked | 3 |
| 33887682 | 10.1016/j.ejmech.2021.113416 | Unchecked | 2 |
| 25494538 | 10.1021/jm501416t | A549 | 1 |
| 25494538 | 10.1021/jm501416t | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Unchecked | 1 |
| 33887682 | 10.1016/j.ejmech.2021.113416 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 33891818 | 10.1021/acs.jmedchem.0c02184 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine