Compound Detail
CHEMBL3329559
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Basic Information
| ChEMBL ID | CHEMBL3329559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPKNMZAFLNWMDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.8
MW (Da)
5.41
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.67
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL3329078 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate... | 25147601 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate ad... | 25147601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147601 | 10.1021/ml500203p | Inosine-5'-monophosphate dehydrogenase | 2 |
| 25147601 | 10.1021/ml500203p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine