Compound Detail
CHEMBL65013
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Basic Information
| ChEMBL ID | CHEMBL65013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHFHMOHJEPXGJT-UHFFFAOYSA-N |
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.30
ALogP
4
HBA
2
HBD
76.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.72 | 7.72 | 19.0 | 3 |
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.5 | 6.035 | 320.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of human inosine monophosphate dehydrogenase IMPDH II | 12565968 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of inosine-5'-monophosphate dehydrogenase 2. | 12781195 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 19.0 | nM | 7.72 | In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2. | 12270177 |
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibitory activity against inosine monophosphate dehydrogenase IMPDH type I | 12565968 |
| CCRF-CEM | IC50 | = | 320.0 | nM | 6.5 | Inhibitory activity against CEM cell proliferation | 12565968 |
| CCRF-CEM | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration against T-cell proliferation response in a CEM cell lin... | 12392738 |
| CCRF-CEM | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CEM (human leukemia) cell proliferation. | 14505670 |
| CCRF-CEM | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of CEM cell proliferation. | 12781195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12565968 | 10.1016/s0960-894x(02)00944-7 | Inosine-5'-monophosphate dehydrogenase 1 | 2 |
| 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 |
| 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 |
| 14505670 | 10.1016/s0960-894x(03)00757-1 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 14505670 | 10.1016/s0960-894x(03)00757-1 | CCRF-CEM | 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 |
| 12270177 | 10.1016/s0960-894x(02)00600-5 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12270168 | 10.1016/s0960-894x(02)00601-7 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12270168 | 10.1016/s0960-894x(02)00601-7 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine