Compound Detail
CHEMBL422508
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Basic Information
| ChEMBL ID | CHEMBL422508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCVNIYVQUIRAJP-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.82
ALogP
6
HBA
1
HBD
71.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.92 | 6.71 | 120.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 6.57 | 6.4567 | 270.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 6.0 | nM | 8.22 | Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II | 12565969 |
| ADMET | IC50 | = | 120.0 | nM | 6.92 | Inhibitory activity against proliferation of peripheral blood mononuclear cells | 12565969 |
| CCRF-CEM | IC50 | = | 270.0 | nM | 6.57 | Inhibitory activity against proliferation of CEM cell line | 12565969 |
| CCRF-CEM | IC50 | = | 290.0 | nM | 6.54 | Inhibitory activity against proliferation of CEM cell line | 12565969 |
| ADMET | IC50 | = | 320.0 | nM | 6.5 | Inhibitory activity against proliferation of peripheral blood mononuclear cells | 12565969 |
| CCRF-CEM | IC50 | = | 550.0 | nM | 6.26 | Inhibitory activity against proliferation of CEM cell line | 12565969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565969 | 10.1016/s0960-894x(02)00945-9 | Inosine-5'-monophosphate dehydrogenase 2 | 3 |
| 12565969 | 10.1016/s0960-894x(02)00945-9 | CCRF-CEM | 3 |
| 12565969 | 10.1016/s0960-894x(02)00945-9 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine