Compound Detail
CHEMBL45870
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Basic Information
| ChEMBL ID | CHEMBL45870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYCMMXMEXWSPCV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.93
ALogP
4
HBA
1
HBD
61.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase (IMPDH) CHEMBL2111369 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of IMPDH2 | 16483769 |
| Inosine-5'-monophosphate dehydrogenase (IMPDH) | IC50 | = | 19000.0 | nM | 4.72 | 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 |
| 16483769 | 10.1016/j.bmcl.2006.01.089 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine