Compound Detail
CHEMBL25179
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COc1cc(NC(=O)C(=O)Nc2cccc(CNC(=O)O[C@@H]3CCOC3)c2)ccc1-c1cnco1
Basic Information
| ChEMBL ID | CHEMBL25179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCYWYFGRSOLDNK-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
2.94
ALogP
8
HBA
3
HBD
141.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human Inosine-5'-monophosphate dehydrogenase 2 | 11965381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11965381 | 10.1016/s0960-894x(02)00132-4 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine