Compound Detail
CHEMBL333482
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Basic Information
| ChEMBL ID | CHEMBL333482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKHWZIZMXRFFLI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.69
ALogP
3
HBA
2
HBD
69.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 6.2 | 6.17 | 630.0 | 2 |
| PBMC CHEMBL613107 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 630.0 | nM | 6.2 | Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMP... | 14505670 |
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 722.0 | nM | 6.14 | Inhibition of IMPDH2 | 16483773 |
| PBMC | IC50 | = | 14000.0 | nM | 4.85 | Antiproliferative activity against PBMC | 16483773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505670 | 10.1016/s0960-894x(03)00757-1 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 16483773 | 10.1016/j.bmcl.2006.01.090 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 16483773 | 10.1016/j.bmcl.2006.01.090 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine