Compound Detail
CHEMBL2426321
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C/C1=C\[C@@H](C)[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL2426321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCRSWJPOFRASIF-HPUNWYTPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
616.8
MW (Da)
4.55
ALogP
6
HBA
4
HBD
140.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | EC50 | = | 480.0 | nM | 6.32 | Antiparasitic activity against Toxoplasma gondii expressing beta-galactosidase i... | 24020843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24020843 | 10.1021/np400196w | HFF | 1 |
| 24020843 | 10.1021/np400196w | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine