Compound Detail
CHEMBL514887
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)C[C@H](NP(=O)(OC(C)C)OC(C)C)C(=O)Nc1ccc(/C=C/c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL514887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYWXWXDKOWJJNU-SDQWYYNMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
6.76
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.27 | 4.225 | 54260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 54260.0 | nM | 4.27 | Antiproliferative activity against human CNE1 cells after 72 hrs by MTT assay | 18952444 |
| NON-PROTEIN TARGET | IC50 | = | 65630.0 | nM | 4.18 | Antiproliferative activity against human CNE2 cells after 72 hrs by MTT assay | 18952444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18952444 | 10.1016/j.bmc.2008.10.022 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine