Compound Detail
CHEMBL3394311
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Basic Information
| ChEMBL ID | CHEMBL3394311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBBYDRJNNDXCEB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.3
MW (Da)
-0.44
ALogP
7
HBA
5
HBD
181.9
PSA (Ų)
0.23
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.0 | 4.85 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 4000.0 | nM | 5.4 | Inhibition of human HGPRT | 25494538 |
| Unchecked | Ki | = | 10000.0 | nM | 5.0 | Inhibition of Plasmodium falciparum HGPRT | 25494538 |
| Unchecked | Ki | = | 20000.0 | nM | 4.7 | Inhibition of Plasmodium vivax HGPRT | 25494538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25494538 | 10.1021/jm501416t | Unchecked | 3 |
| 25494538 | 10.1021/jm501416t | A549 | 1 |
| 25494538 | 10.1021/jm501416t | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine