Compound Detail
CHEMBL2324594
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Basic Information
| ChEMBL ID | CHEMBL2324594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBJQIGCACUEGRG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
3.38
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.02
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 200.2 | 1 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 5.02 | 5.02 | 9460.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3367 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 200.2 | nM | 6.7 | Inhibition of Toxoplasma gondii RH full length CDPK1 expressed in Escherichia co... | 23470217 |
| Toxoplasma gondii | EC50 | = | 9460.0 | nM | 5.02 | Antiparasitic activity against wild type tachyzoites of Toxoplasma gondii RH typ... | 23470217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23470217 | 10.1021/jm4001314 | Liver microsomes | 2 |
| 23470217 | 10.1021/jm4001314 | Toxoplasma gondii | 1 |
| 23470217 | 10.1021/jm4001314 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine