Compound Detail
CHEMBL2414636
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Basic Information
| ChEMBL ID | CHEMBL2414636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYXVNWBGVIIBOW-QMMMGPOBSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.2
MW (Da)
-0.73
ALogP
5
HBA
6
HBD
151.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.19
IC50 2 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.19 | 8.78 | 0.7 | 3 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | IC50 | 6.42 | 6.42 | 385.0 | 1 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.65 | nM | 9.19 | Competitive inhibition of Plasmodium falciparum HGPRT by Morrison method | 33891818 |
| Unchecked | Ki | = | 0.65 | nM | 9.19 | Inhibition of Plasmodium falciparum HGXPRT assessed as xanthine/guanine conversi... | 23810424 |
| Unchecked | Ki | = | 0.65 | nM | 9.19 | Inhibition of N-terminal His6-tagged HGXPRT expressed in Escherichia coli BL21 c... | 36209571 |
| Unchecked | Ki | = | 11.0 | nM | 7.96 | Inhibition of N-terminal His6-tagged Trypanosoma cruzi HGPRT isoform C expressed... | 36209571 |
| Hypoxanthine-guanine phosphoribosyltransferase | IC50 | = | 385.0 | nM | 6.42 | Competitive inhibition of human HGPRT by Morrison method | 33891818 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 380.0 | nM | 6.42 | Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conve... | 23810424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36209571 | 10.1016/j.bmc.2022.117038 | Unchecked | 3 |
| 23810424 | 10.1016/j.bmc.2013.02.016 | Unchecked | 2 |
| 23810424 | 10.1016/j.bmc.2013.02.016 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 33891818 | 10.1021/acs.jmedchem.0c02184 | Hypoxanthine-guanine phosphoribosyltransferase | 1 |
| 33891818 | 10.1021/acs.jmedchem.0c02184 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine