Compound Detail
CHEMBL104535
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Basic Information
| ChEMBL ID | CHEMBL104535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEVVOUFGAKOLCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.89
ALogP
6
HBA
1
HBD
68.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II) | 12372516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372516 | 10.1016/s0960-894x(02)00641-8 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine