Compound Detail
CHEMBL2178618
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Basic Information
| ChEMBL ID | CHEMBL2178618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFAJOMGRNOVMMO-MFKUBSTISA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
5.09
ALogP
3
HBA
3
HBD
73.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 9.0 | 8.82 | 1.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 7.1 | 6.2 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia ... | 22950983 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 2.3 | nM | 8.64 | Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia ... | 22950983 |
| Toxoplasma gondii | EC50 | = | 80.0 | nM | 7.1 | Antiparasitic activity against Toxoplasma gondii expressing Cryptosporidium parv... | 22950983 |
| Toxoplasma gondii | EC50 | = | 5000.0 | nM | 5.3 | Toxicity against wild type Toxoplasma gondii expressing yellow fluorescent prote... | 22950983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22950983 | 10.1021/jm3007917 | Toxoplasma gondii | 3 |
| 22950983 | 10.1021/jm3007917 | Inosine-5'-monophosphate dehydrogenase | 2 |
Data from ChEMBL 36 via Core Engine