Compound Detail
CHEMBL2324589
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2324589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOHYWRFSSYKEMV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
15
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
3.55
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.07
EC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.39 | 6.39 | 410.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.06667 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.47 | nM | 8.07 | Inhibition of Toxoplasma gondii RH full length CDPK1 expressed in Escherichia co... | 23470217 |
| Toxoplasma gondii | EC50 | = | 410.0 | nM | 6.39 | Antiparasitic activity against wild type tachyzoites of Toxoplasma gondii RH typ... | 23470217 |
| Toxoplasma gondii | IC50 | = | 1700.0 | nM | 5.77 | AntiToxoplasma gondii activity data 2-day killing assay: IC50 (uM), Experiment F | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Toxoplasma gondii | 5 |
| 23470217 | 10.1021/jm4001314 | Liver microsomes | 2 |
| 23470217 | 10.1021/jm4001314 | Unchecked | 1 |
| 23470217 | 10.1021/jm4001314 | Toxoplasma gondii | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine