Compound Detail
CHEMBL2348806
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Basic Information
| ChEMBL ID | CHEMBL2348806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNOKIFBZSXYOCT-JTQLQIEISA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
5.66
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.52
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 7.77 | 7.645 | 17.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.52 | 6.09 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Toxoplasma gondii | EC50 | = | 300.0 | nM | 6.52 | Antiparasitic activity against transgenic Toxoplasma gondii expressing Cryptospo... | 23668331 |
| Toxoplasma gondii | EC50 | = | 2200.0 | nM | 5.66 | 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 | Inosine-5'-monophosphate dehydrogenase | 2 |
| 23668331 | 10.1021/jm400241j | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine