Compound Detail
CHEMBL8230
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Basic Information
| ChEMBL ID | CHEMBL8230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPDYTYOWSIRPMB-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
0.74
ALogP
7
HBA
3
HBD
115.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.7
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2395 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 6.7 | 6.7 | 200.0 | 3 |
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 200.0 | nM | 6.7 | Tested for its inhibitory activity against human erythrocytic purine nucleoside ... | - |
| Purine nucleoside phosphorylase | Ki | = | 200.0 | nM | 6.7 | PNP activity in human RBC | 8478902 |
| Purine nucleoside phosphorylase | Ki | = | 200.0 | nM | 6.7 | Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (P... | 8057293 |
| Purine nucleoside phosphorylase | Ki | = | 200.0 | nM | 6.7 | Inhibition of human PNP | 30627387 |
| Purine nucleoside phosphorylase | IC50 | = | 470.0 | nM | 6.33 | Inhibitory activity against Purine nucleoside phosphorylase evaluated by radioch... | 1573639 |
| MOLT-4 | IC50 | = | 770.0 | nM | 6.11 | Cytotoxic effect on the growth of human T-and B-lymphoblastoid cell lines(MOLT-4... | 1573639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578487 | 10.1021/jm00087a015 | No relevant target | 2 |
| 8057293 | 10.1021/jm00041a027 | Purine nucleoside phosphorylase | 2 |
| 1573639 | 10.1021/jm00086a014 | Purine nucleoside phosphorylase | 1 |
| 1573639 | 10.1021/jm00086a014 | MOLT-4 | 1 |
| - | 10.1016/S0960-894X(00)80157-2 | Purine nucleoside phosphorylase | 1 |
| 8478902 | 10.1021/jm00060a010 | Purine nucleoside phosphorylase | 1 |
| 30627387 | 10.1039/C8MD00372F | Purine nucleoside phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine