Compound Detail
CHEMBL3329558
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
Basic Information
| ChEMBL ID | CHEMBL3329558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVFUDWOXKBEDOZ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.2
MW (Da)
3.75
ALogP
7
HBA
1
HBD
68.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 6.89 | 6.89 | 128.0 | 1 |
| NUGC CHEMBL614207 | IC50 | 6.87 | 6.87 | 136.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.64 | 6.225 | 229.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 128.0 | nM | 6.89 | Cytotoxicity against human HepG2 cells after 24 hrs by SRB assay | 25147148 |
| NUGC | IC50 | = | 136.0 | nM | 6.87 | Cytotoxicity against human NUGC cells after 24 hrs by SRB assay | 25147148 |
| NON-PROTEIN TARGET | IC50 | = | 229.0 | nM | 6.64 | Cytotoxicity against human MCF cells after 24 hrs by SRB assay | 25147148 |
| NON-PROTEIN TARGET | IC50 | = | 320.0 | nM | 6.5 | Cytotoxicity against human DLD1 cells after 24 hrs by SRB assay | 25147148 |
| NON-PROTEIN TARGET | IC50 | = | 782.0 | nM | 6.11 | Cytotoxicity against human HA22T cells after 24 hrs by SRB assay | 25147148 |
| NON-PROTEIN TARGET | IC50 | = | 2217.0 | nM | 5.65 | Cytotoxicity against human HONE1 cells after 24 hrs by SRB assay | 25147148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147148 | 10.1016/j.ejmech.2014.08.047 | NON-PROTEIN TARGET | 5 |
| 25147148 | 10.1016/j.ejmech.2014.08.047 | NUGC | 1 |
| 25147148 | 10.1016/j.ejmech.2014.08.047 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine