Compound Detail
CHEMBL2348818
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Basic Information
| ChEMBL ID | CHEMBL2348818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCNXGTHMVPSAAC-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
5.45
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 8.05 | 7.95 | 9.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.7 | 6.16 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Toxoplasma gondii | EC50 | = | 200.0 | nM | 6.7 | Antiparasitic activity against transgenic Toxoplasma gondii expressing Cryptospo... | 23668331 |
| Toxoplasma gondii | EC50 | = | 2400.0 | nM | 5.62 | 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