Compound Detail
CHEMBL1236661
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Basic Information
| ChEMBL ID | CHEMBL1236661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYCOTGCSHZKHPR-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.06
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.0
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 7.0 | 6.9733 | 100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.99 | nM | 8.4 | Inhibition of Toxoplasma gondii RH full length CDPK1 expressed in Escherichia co... | 23470217 |
| Unchecked | IC50 | = | 3.99 | nM | 8.4 | Inhibition of Toxoplasma gondii CDPK1 | 31585276 |
| Toxoplasma gondii | EC50 | = | 100.0 | nM | 7.0 | Antiparasitic activity against tachyzoites of Toxoplasma gondii RH type 1 infect... | 23470217 |
| Toxoplasma gondii | EC50 | = | 110.0 | nM | 6.96 | Antiparasitic activity against wild type tachyzoites of Toxoplasma gondii RH typ... | 23470217 |
| Toxoplasma gondii | EC50 | = | 110.0 | nM | 6.96 | Antiparasitic activity against Toxoplasma gondii | 31585276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23470217 | 10.1021/jm4001314 | Toxoplasma gondii | 6 |
| 23470217 | 10.1021/jm4001314 | Unchecked | 3 |
| 31585276 | 10.1016/j.ejmech.2019.111711 | Unchecked | 1 |
| 31585276 | 10.1016/j.ejmech.2019.111711 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine