Compound Detail
CHEMBL61868
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Basic Information
| ChEMBL ID | CHEMBL61868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSMOZLFCAGUELX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179135 |
| Active Moiety | CHEMBL1179135 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
-0.17
ALogP
5
HBA
4
HBD
113.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | IC50 | = | 9900.0 | nM | 5.0 | Compound was tested for inhibition of purine nucleoside phosphorylase using huma... | 3093681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3093681 | 10.1021/jm00160a040 | MOLT-4 | 2 |
| 3093681 | 10.1021/jm00160a040 | NON-PROTEIN TARGET | 2 |
| 3093681 | 10.1021/jm00160a040 | Purine nucleoside phosphorylase | 1 |
| 3093681 | 10.1021/jm00160a040 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine