Compound Detail
CHEMBL5290986
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CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)CC(=O)OC(C)(C)C)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL5290986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWUJELRHPOCZMW-WZONZLPQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
4.63
ALogP
5
HBA
1
HBD
88.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cryptosporidium parvum CHEMBL612855 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cryptosporidium parvum | EC50 | = | 550.0 | nM | 6.26 | Antiparasitic activity against Cryptosporidium parvum infected in human HCT-8 ce... | 37196868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37196868 | 10.1016/j.bmcl.2023.129328 | Cryptosporidium parvum | 2 |
Data from ChEMBL 36 via Core Engine