Compound Detail
CHEMBL64639
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Basic Information
| ChEMBL ID | CHEMBL64639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKVQXQHNRLDGAM-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
4.75
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.8 | 7.725 | 16.0 | 4 |
| CCRF-CEM CHEMBL382 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 16.0 | nM | 7.8 | Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMP... | 14505670 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human inosine-5'-monophosphate dehydrogenase 2 | 12014950 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II) | 12372516 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of inosine-5'-monophosphate dehydrogenase 2. | 12781195 |
| CCRF-CEM | IC50 | = | 7000.0 | nM | 5.16 | In vitro secondary T-cell (CEM) proliferation assay | 12014950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014950 | 10.1021/jm0105777 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12014950 | 10.1021/jm0105777 | CCRF-CEM | 1 |
| 12372516 | 10.1016/s0960-894x(02)00641-8 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 14505670 | 10.1016/s0960-894x(03)00757-1 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12781195 | 10.1016/s0960-894x(03)00258-0 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12781195 | 10.1016/s0960-894x(03)00258-0 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine