Compound Detail
CHEMBL2348816
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Basic Information
| ChEMBL ID | CHEMBL2348816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRXGXBGJVNUGSX-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
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
EC50 2 meas. best 6.66
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 8.52 | 8.24 | 3.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.66 | 5.88 | 220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH ... | 23668331 |
| Toxoplasma gondii | EC50 | = | 220.0 | nM | 6.66 | Antiparasitic activity against transgenic Toxoplasma gondii expressing Cryptospo... | 23668331 |
| Toxoplasma gondii | EC50 | = | 8000.0 | nM | 5.1 | 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 | 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 |
Data from ChEMBL 36 via Core Engine