Compound Detail
CHEMBL33189
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL33189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKDLJUSXYAHDFI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
0.34
ALogP
8
HBA
3
HBD
129.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 250.0 | nM | 6.6 | Inhibitory activity against Purine nucleoside phosphorylase evaluated by radioch... | 1573639 |
| MOLT-4 | IC50 | = | 1470.0 | nM | 5.83 | 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