Compound Detail
CHEMBL3604956
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Basic Information
| ChEMBL ID | CHEMBL3604956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKUWINWSAOCTPV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.2
MW (Da)
-1.68
ALogP
8
HBA
6
HBD
207.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Xanthine-guanine phosphoribosyltransferase CHEMBL3988588 | Ki | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Inhibition of Plasmodium falciparum HGXPRT by spectrophotometric assay | 26275679 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 2000.0 | nM | 5.7 | Inhibition of human HGPRT by spectrophotometric assay | 26275679 |
| Xanthine-guanine phosphoribosyltransferase | Ki | = | 27000.0 | nM | 4.57 | Spectrophotometric Assay: The Ki values were determined using a spectrophotometr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26275679 | 10.1016/j.bmc.2015.07.038 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 26275679 | 10.1016/j.bmc.2015.07.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine