Compound Detail
CHEMBL445654
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Basic Information
| ChEMBL ID | CHEMBL445654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICNLCUBFKVXYPS-KPKJPENVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
1.82
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 80000.0 | nM | 4.1 | Compound tested on intracellular parasites Toxoplasma gondii in vero cells after... | 15863319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863319 | 10.1016/j.bmcl.2005.03.048 | Vero | 2 |
| 15863319 | 10.1016/j.bmcl.2005.03.048 | Toxoplasma gondii | 2 |
Data from ChEMBL 36 via Core Engine