Compound Detail
CHEMBL4525036
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CC(C)(C)C1=CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O
Basic Information
| ChEMBL ID | CHEMBL4525036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWZZBEWTIRHVCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.80
ALogP
7
HBA
1
HBD
127.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 130.0 | nM | 6.89 | Antiparasitic activity against Toxoplasma gondii infected in human HFF cells aft... | 31585276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31585276 | 10.1016/j.ejmech.2019.111711 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine