Compound Detail
CHEMBL2426329
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CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL2426329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZOLQVCKHACDQW-QEOAIGJMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
655.8
MW (Da)
4.34
ALogP
7
HBA
3
HBD
153.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | EC50 | = | 380.0 | nM | 6.42 | Antiparasitic activity against Toxoplasma gondii expressing beta-galactosidase i... | 24020843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24020843 | 10.1021/np400196w | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine