Compound Detail
CHEMBL380059
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CCc1c(C)c2c(c(O)c1C/C=C(\C)CN(CCP(=O)(O)O)S(N)(=O)=O)C(=O)OC2
Basic Information
| ChEMBL ID | CHEMBL380059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLLNSZSQJWMFKB-VZUCSPMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
1.11
ALogP
6
HBA
4
HBD
167.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 CHEMBL2002 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase 2 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human IMPDH2 | 16621550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16621550 | 10.1016/j.bmcl.2006.03.097 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine