Compound Detail
CHEMBL2325754
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Basic Information
| ChEMBL ID | CHEMBL2325754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFMQQVHVLQIQPE-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
441.3
MW (Da)
-1.54
ALogP
9
HBA
6
HBD
223.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.376 | 110.0 | 5 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 110.0 | nM | 6.96 | Inhibition of Escherichia coli XGPRT expressed in Escherichia coli SPhi606 using... | 23927482 |
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Inhibition of Plasmodium falciparum HGXPRT | 23448281 |
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Inhibition of Plasmodium falciparum HGPRT using PRib-PP as the substrate by spec... | 28813147 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 600.0 | nM | 6.22 | Inhibition of human N-terminal hexahistidine-tagged HGPRT | 23448281 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 600.0 | nM | 6.22 | Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric m... | 28813147 |
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of Plasmodium vivax N-terminal hexahistidine-tagged HGPRT | 23448281 |
| Unchecked | Ki | = | 690.0 | nM | 6.16 | Inhibition of N-terminal hexa-histidine tagged Mycobacterium tuberculosis HGPRT ... | 25915781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23927482 | 10.1021/jm400779n | Unchecked | 3 |
| 23448281 | 10.1021/jm301893b | Unchecked | 2 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Unchecked | 2 |
| 23448281 | 10.1021/jm301893b | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 23927482 | 10.1021/jm400779n | Mycobacterium tuberculosis | 1 |
| 28813147 | 10.1021/acs.jmedchem.7b00926 | Unchecked | 1 |
| 28813147 | 10.1021/acs.jmedchem.7b00926 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine