Compound Detail
CHEMBL1427
HYPOXANTHINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1427 |
| Name | HYPOXANTHINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDGQSTZJBFJUBT-UHFFFAOYSA-N |
4
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
136.1
MW (Da)
-0.35
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Ki 3 meas. best 4.96
Kd 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Kd | 6.17 | 6.035 | 680.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL2395 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Kd | = | 680.0 | nM | 6.17 | Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3... | 23040896 |
| Purine nucleoside phosphorylase | Kd | = | 1250.0 | nM | 5.9 | Binding affinity to calf recombinant PNP Phe200Trp mutant expressed in Escherich... | 23040896 |
| Plasmodium falciparum | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of [3H]hypoxanthine uptake in Plasmodium falciparum 3D7 | 17149876 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Inhibition of fungal FcyB expressed in Aspergillus nidulans assessed as reductio... | 30006169 |
| Purine nucleoside phosphorylase | Ki | = | 17000.0 | nM | 4.77 | Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P... | 8057293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615522 | 10.1021/jm040144e | CCRF-CEM | 4 |
| 23040896 | 10.1016/j.bmc.2012.08.045 | Purine nucleoside phosphorylase | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 3981534 | 10.1021/jm00382a006 | L1210 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 16279780 | 10.1021/jm058234m | CCRF-CEM | 2 |
| 17149876 | 10.1021/jm061012j | Plasmodium falciparum | 2 |
| 17149876 | 10.1021/jm061012j | Unchecked | 2 |
| 17149876 | 10.1021/jm061012j | Hypoxanthine-guanine phosphoribosyltransferase | 2 |
| 8057293 | 10.1021/jm00041a027 | Purine nucleoside phosphorylase | 2 |
| 1666120 | 10.1021/np50077a014 | Unchecked | 1 |
| 6330305 | 10.1021/np50030a005 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 31484 | 10.1021/jm00207a008 | Purine nucleoside phosphorylase | 1 |
| 2778 | 10.1021/jm00224a017 | No relevant target | 1 |
| 28933546 | 10.1021/acs.jmedchem.7b01066 | Unchecked | 1 |
| 30006169 | 10.1016/j.ejmech.2018.06.038 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine