Compound Detail
CHEMBL367746
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Basic Information
| ChEMBL ID | CHEMBL367746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFYPRJYSJODFFD-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
150.1
MW (Da)
-0.17
ALogP
3
HBA
3
HBD
87.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.8
IC50 1 meas.
Ki 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Kd | 6.8 | 6.785 | 160.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Kd | = | 160.0 | nM | 6.8 | Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3... | 23040896 |
| Purine nucleoside phosphorylase | Kd | = | 170.0 | nM | 6.77 | Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3... | 23040896 |
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | Inhibition of hexa-his tagged Helicobacter pylori XGHPRT using guanine and PRib-... | 33891818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23040896 | 10.1016/j.bmc.2012.08.045 | Purine nucleoside phosphorylase | 3 |
| 11754581 | 10.1021/jm010186s | Ricin | 1 |
| 33891818 | 10.1021/acs.jmedchem.0c02184 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine