Compound Detail
CHEMBL2324596
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 | CHEMBL2324596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGHJRTSLPCFAQD-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.25
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.39 | 7.635 | 4.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.1 | nM | 8.39 | Inhibition of Toxoplasma gondii RH full length CDPK1 expressed in Escherichia co... | 23470217 |
| Unchecked | IC50 | = | 13.7 | nM | 7.86 | Inhibition of Toxoplasma gondii RH CDPK1 G128A mutant expressed in Escherichia c... | 23470217 |
| Unchecked | IC50 | = | 22.9 | nM | 7.64 | Inhibition of Toxoplasma gondii RH CDPK1 G128S mutant expressed in Escherichia c... | 23470217 |
| Unchecked | IC50 | = | 221.8 | nM | 6.65 | Inhibition of Toxoplasma gondii RH CDPK1 G128T mutant expressed in Escherichia c... | 23470217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23470217 | 10.1021/jm4001314 | Unchecked | 5 |
| 23470217 | 10.1021/jm4001314 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine