Compound Detail
CHEMBL35668
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Basic Information
| ChEMBL ID | CHEMBL35668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNTROBBBKWOGBK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
1.11
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 4.37 | 4.37 | 42600.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 4.19 | 4.19 | 65200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 42600.0 | nM | 4.37 | Inhibitory activity against Purine nucleoside phosphorylase evaluated by radioch... | 1573639 |
| MOLT-4 | IC50 | = | 65200.0 | nM | 4.19 | Cytotoxic effect on the growth of human T-and B-lymphoblastoid cell lines(MOLT-4... | 1573639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1573639 | 10.1021/jm00086a014 | Purine nucleoside phosphorylase | 1 |
| 1573639 | 10.1021/jm00086a014 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine