Compound Detail
CHEMBL2159650
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Basic Information
| ChEMBL ID | CHEMBL2159650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNIMYYSKDBUOIP-IUCAKERBSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
0.93
ALogP
6
HBA
3
HBD
130.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 7.53 | 7.3667 | 29.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 29.8 | nM | 7.53 | Inhibition of bovine PNP Phe159Trp mutant using 7-methylguanosine as substrate b... | 23040896 |
| Purine nucleoside phosphorylase | Ki | = | 42.7 | nM | 7.37 | Inhibition of bovine PNP Phe200Trp mutant using 7-methylguanosine as substrate b... | 23040896 |
| Purine nucleoside phosphorylase | Ki | = | 63.0 | nM | 7.2 | Inhibition of bovine PNP using 7-methylguanosine as substrate by spectrophotomet... | 23040896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23040896 | 10.1016/j.bmc.2012.08.045 | Purine nucleoside phosphorylase | 4 |
Data from ChEMBL 36 via Core Engine