Compound Detail
CHEMBL2348627
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Basic Information
| ChEMBL ID | CHEMBL2348627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUFRXADFMZVJFT-LBPRGKRZSA-N |
3
Targets
6
Activities
2
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
5.60
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 9.22 | 8.9467 | 0.6 | 3 |
| Inosine-5'-monophosphate dehydrogenase CHEMBL3329078 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 7.7 | 6.61 | 20.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.15 | hr | Mus musculus |
| T1/2 | 0.1667 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate ad... | 25147601 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate... | 25147601 |
| Toxoplasma gondii | EC50 | = | 20.0 | nM | 7.7 | Antiparasitic activity against transgenic Toxoplasma gondii expressing Cryptospo... | 23668331 |
| Toxoplasma gondii | EC50 | = | 3000.0 | nM | 5.52 | Antiparasitic activity against wild-type Toxoplasma gondii expressing eukaryotic... | 23668331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23668331 | 10.1021/jm400241j | Toxoplasma gondii | 3 |
| 23668331 | 10.1021/jm400241j | Liver | 2 |
| 23668331 | 10.1021/jm400241j | Inosine-5'-monophosphate dehydrogenase | 2 |
| 25147601 | 10.1021/ml500203p | Inosine-5'-monophosphate dehydrogenase | 2 |
| 23668331 | 10.1021/jm400241j | CHO | 1 |
| 23668331 | 10.1021/jm400241j | ADMET | 1 |
| 23668331 | 10.1021/jm400241j | HEK293 | 1 |
| 23668331 | 10.1021/jm400241j | HeLa | 1 |
| 23668331 | 10.1021/jm400241j | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 25147601 | 10.1021/ml500203p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine