Compound Detail
CHEMBL279957
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Basic Information
| ChEMBL ID | CHEMBL279957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBCKNJRUWGSXDR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
2.50
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) CHEMBL2111369 | 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 (IMPDH) | IC50 | = | 14000.0 | nM | 4.85 | 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 |
| 12781195 | 10.1016/s0960-894x(03)00258-0 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 11965381 | 10.1016/s0960-894x(02)00132-4 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine