Compound Detail
CHEMBL47067
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Basic Information
| ChEMBL ID | CHEMBL47067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHCRTHQCHIEALB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
1.90
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) CHEMBL2111369 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) | IC50 | = | 4400.0 | nM | 5.36 | Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase | 12729643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729643 | 10.1016/s0960-894x(03)00237-3 | Inosine-5'-monophosphate dehydrogenase (IMPDH) | 1 |
Data from ChEMBL 36 via Core Engine