Compound Detail
CHEMBL2178626
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Basic Information
| ChEMBL ID | CHEMBL2178626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLXUUGWMXGRFPB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
5.32
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL6145 | IC50 | 9.1 | 8.66 | 0.8 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.09833 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 0.8 | nM | 9.1 | Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia ... | 22950983 |
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia ... | 22950983 |
| Toxoplasma gondii | EC50 | = | 3000.0 | nM | 5.52 | 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 |
| 22950983 | 10.1021/jm3007917 | Inosine-5'-monophosphate dehydrogenase 2 | 1 |
| 22950983 | 10.1021/jm3007917 | Liver | 1 |
| 22950983 | 10.1021/jm3007917 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine