Compound Detail
CHEMBL428633
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Basic Information
| ChEMBL ID | CHEMBL428633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIXMTUOKDXAXGR-WEVVVXLNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
2.60
ALogP
4
HBA
3
HBD
104.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase 1 CHEMBL1822 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human IMPDH2 | 16621550 |
| Inosine-5'-monophosphate dehydrogenase 1 | IC50 | = | 71.0 | nM | 7.15 | Inhibition of human IMPDH1 | 16621550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16621550 | 10.1016/j.bmcl.2006.03.097 | Inosine-5'-monophosphate dehydrogenase (IMPDH) | 1 |
| 16621550 | 10.1016/j.bmcl.2006.03.097 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 16621550 | 10.1016/j.bmcl.2006.03.097 | Inosine-5'-monophosphate dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine