Compound Detail
CHEMBL117383
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Basic Information
| ChEMBL ID | CHEMBL117383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMKHFYMUIAURNQ-SSJAMWAFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.2
MW (Da)
-0.63
ALogP
6
HBA
5
HBD
114.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 8.15 | 7.62 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 7.0 | nM | 8.15 | Equilibrium dissociation constant determined against human purine nucleoside pho... | 12852771 |
| Purine nucleoside phosphorylase | Ki | = | 81.0 | nM | 7.09 | Inhibition of human purine nucleoside phosphorylase; Initial rate. | 12852771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852771 | 10.1021/jm030145r | Purine nucleoside phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine