Compound Detail
CHEMBL3604359
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Basic Information
| ChEMBL ID | CHEMBL3604359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBPWKRQKYPFTJB-VHSXEESVSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
0.82
ALogP
6
HBA
3
HBD
85.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.07 | 8.07 | 8.6 | 1 |
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 7.08 | 7.02 | 84.0 | 2 |
| Purine nucleoside phosphorylase CHEMBL5648 | Ki | 7.03 | 6.78 | 93.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 8.6 | nM | 8.07 | Inhibition of Pseudomonas aeruginosa MTIP using MTI as substrate by xanthine oxi... | 26260335 |
| Purine nucleoside phosphorylase | Ki | = | 84.0 | nM | 7.08 | Inhibition of recombinant human PNP using inosine as substrate assessed as inhib... | 26260335 |
| Purine nucleoside phosphorylase | Ki | = | 93.0 | nM | 7.03 | Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate a... | 26260335 |
| Purine nucleoside phosphorylase | Ki | = | 110.0 | nM | 6.96 | Inhibition of recombinant human PNP using inosine as substrate by xanthine oxida... | 26260335 |
| Purine nucleoside phosphorylase | Ki | = | 298.0 | nM | 6.53 | Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate b... | 26260335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26260335 | 10.1016/j.bmc.2015.07.059 | Purine nucleoside phosphorylase | 4 |
| 26260335 | 10.1016/j.bmc.2015.07.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine