Compound Detail
CHEMBL4551199
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@]1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H](C)OC(=O)Oc2ccccc2)NC(=O)[C@H]2C[C@H](C)CN2C(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4551199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGTNIQDROXYJKS-WYKWRLIFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
676.8
MW (Da)
3.86
ALogP
8
HBA
3
HBD
160.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | EC50 | 7.95 | 7.95 | 11.3 | 1 |
| HFF CHEMBL614071 | EC50 | 7.23 | 7.23 | 59.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | EC50 | = | 11.3 | nM | 7.95 | Antiparasitic activity against Toxoplasma gondii RH infected in human HFF cells ... | 31585276 |
| HFF | EC50 | = | 59.16 | nM | 7.23 | Cytotoxicity against human HFF cells assessed as reduction in cell viability | 31585276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31585276 | 10.1016/j.ejmech.2019.111711 | Toxoplasma gondii | 1 |
| 31585276 | 10.1016/j.ejmech.2019.111711 | HFF | 1 |
| 31585276 | 10.1016/j.ejmech.2019.111711 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine