Compound Detail
CHEMBL564187
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Basic Information
| ChEMBL ID | CHEMBL564187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUCNFUWQDHEFCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
6.25
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL3329078 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate... | 25147601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19624136 | 10.1021/jm900410u | Inosine-5'-monophosphate dehydrogenase | 2 |
| 25147601 | 10.1021/ml500203p | Inosine-5'-monophosphate dehydrogenase | 2 |
| 19624136 | 10.1021/jm900410u | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 25147601 | 10.1021/ml500203p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine