Compound Detail
CHEMBL4453040
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Basic Information
| ChEMBL ID | CHEMBL4453040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AATVRVAGFRHWER-ZCFIWIBFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
-2.25
ALogP
9
HBA
4
HBD
172.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | Inhibition of Plasmodium falciparum HGXPRT using Prib-PP as substrate by Hanes-p... | 30964283 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 8000.0 | nM | 5.1 | Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method | 30964283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964283 | 10.1021/acs.jmedchem.9b00182 | Unchecked | 2 |
| 30964283 | 10.1021/acs.jmedchem.9b00182 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine