Compound Detail
CHEMBL23843
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Basic Information
| ChEMBL ID | CHEMBL23843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHMIBIGHTIBSRR-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
4.27
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.1
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 8.1 | 8.1 | 8.0 | 3 |
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.16 | 6.16 | 690.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | Ki | = | 7.0 | nM | 8.15 | Inhibitory activity against IMPDH II with respect to IMP and NAD | 12565968 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human inosine monophosphate dehydrogenase IMPDH II | 12565968 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of 5'-inosine monophosphate dehydrogenase type II (IMPDH II) | 12657262 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of inosine-5'-monophosphate dehydrogenase 2. | 12781195 |
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 99.0 | nM | 7.0 | Inhibitory activity against inosine monophosphate dehydrogenase IMPDH type I | 12565968 |
| CCRF-CEM | IC50 | = | 690.0 | nM | 6.16 | Inhibitory activity against CEM cell proliferation | 12565968 |
| CCRF-CEM | IC50 | = | 690.0 | nM | 6.16 | Inhibition of CEM T-cell proliferation | 12657262 |
| CCRF-CEM | IC50 | = | 690.0 | nM | 6.16 | 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 2 | 2 |
| 12565968 | 10.1016/s0960-894x(02)00944-7 | Inosine-5'-monophosphate dehydrogenase 1 | 2 |
| 12565968 | 10.1016/s0960-894x(02)00944-7 | CCRF-CEM | 1 |
| 12657262 | 10.1016/s0960-894x(03)00109-4 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12657262 | 10.1016/s0960-894x(03)00109-4 | 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 |
Data from ChEMBL 36 via Core Engine