Compound Detail
CHEMBL358876
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Basic Information
| ChEMBL ID | CHEMBL358876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHCZTUMGCZNJIL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.89
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 83.0 | nM | 7.08 | Inhibitory activity against inosine monophosphate dehydrogenase IMPDH type I | 12565968 |
| CCRF-CEM | IC50 | = | 410.0 | nM | 6.39 | Inhibitory activity against CEM cell proliferation | 12565968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565968 | 10.1016/s0960-894x(02)00944-7 | Inosine-5'-monophosphate dehydrogenase 1 | 2 |
| 12565968 | 10.1016/s0960-894x(02)00944-7 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12565968 | 10.1016/s0960-894x(02)00944-7 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine