Compound Detail
CHEMBL116061
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Basic Information
| ChEMBL ID | CHEMBL116061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEMWFEAEHKVGKC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.78
ALogP
3
HBA
3
HBD
83.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 35.0 | nM | 7.46 | Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was de... | 12392738 |
| CCRF-CEM | IC50 | = | 9700.0 | nM | 5.01 | Inhibitory concentration against T-cell proliferation response in a CEM cell lin... | 12392738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392738 | 10.1016/s0960-894x(02)00748-5 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12392738 | 10.1016/s0960-894x(02)00748-5 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine