Compound Detail
CHEMBL5197487
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Basic Information
| ChEMBL ID | CHEMBL5197487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBWZPOYUTYXAPK-UHFFFAOYSA-L |
| Parent Compound | CHEMBL5222133 |
| Active Moiety | CHEMBL5222133 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
-1.37
ALogP
7
HBA
4
HBD
150.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.0 | 6.46 | 100.0 | 3 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 100.0 | nM | 7.0 | Inhibition of His-tagged Trypanosoma brucei HGXPRT expressed in Escherichia coli... | 35175749 |
| Unchecked | Ki | = | 600.0 | nM | 6.22 | Inhibition of His-tagged Trypanosoma brucei HGPRT1 expressed in Escherichia coli... | 35175749 |
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of Plasmodium falciparum HGXPRT using PRib-PP as substrate by spectro... | 35175749 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 2000.0 | nM | 5.7 | Inhibition of human HGPRT using PRib-PP as substrate by spectrophotometric assay | 35175749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35175749 | 10.1021/acs.jmedchem.1c01881 | Unchecked | 3 |
| 35175749 | 10.1021/acs.jmedchem.1c01881 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine