Compound Detail
CHEMBL3394315
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Basic Information
| ChEMBL ID | CHEMBL3394315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDVPQJAJPLQVNC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.3
MW (Da)
-1.67
ALogP
9
HBA
6
HBD
217.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.89 | 6.595 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 30.0 | nM | 7.52 | Inhibition of human HGPRT | 25494538 |
| Unchecked | Ki | = | 130.0 | nM | 6.89 | Inhibition of Plasmodium vivax HGPRT | 25494538 |
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Inhibition of Plasmodium falciparum 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