Compound Detail
CHEMBL23716
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Basic Information
| ChEMBL ID | CHEMBL23716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSAYRHJLZNHLSQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
5.53
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of 5'-inosine monophosphate dehydrogenase type II (IMPDH II) | 12657262 |
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of 5'-inosine monophosphate dehydrogenase type I (IMPDH I) | 12657262 |
| CCRF-CEM | IC50 | = | 550.0 | nM | 6.26 | Inhibition of CEM T-cell proliferation | 12657262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657262 | 10.1016/s0960-894x(03)00109-4 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 12657262 | 10.1016/s0960-894x(03)00109-4 | Inosine-5'-monophosphate dehydrogenase 1 | 1 |
| 12657262 | 10.1016/s0960-894x(03)00109-4 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine