Compound Detail
CHEMBL1209368
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 | CHEMBL1209368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWZGPSNRSCNSRI-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.91
ALogP
6
HBA
0
HBD
56.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.9 | 5.7 | 1265.0 | 4 |
| NUGC CHEMBL614207 | IC50 | 5.89 | 5.89 | 1280.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.87 | 5.87 | 1365.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1265.0 | nM | 5.9 | Cytotoxicity against human HA22T cells after 24 hrs by SRB assay | 25147148 |
| NUGC | IC50 | = | 1280.0 | nM | 5.89 | Cytotoxicity against human NUGC cells after 24 hrs by SRB assay | 25147148 |
| HepG2 | IC50 | = | 1365.0 | nM | 5.87 | Cytotoxicity against human HepG2 cells after 24 hrs by SRB assay | 25147148 |
| NON-PROTEIN TARGET | IC50 | = | 1538.0 | nM | 5.81 | Cytotoxicity against human MCF cells after 24 hrs by SRB assay | 25147148 |
| NON-PROTEIN TARGET | IC50 | = | 2426.0 | nM | 5.62 | Cytotoxicity against human HONE1 cells after 24 hrs by SRB assay | 25147148 |
| NON-PROTEIN TARGET | IC50 | = | 3360.0 | nM | 5.47 | Cytotoxicity against human DLD1 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 |
| 20643545 | 10.1016/j.bmcl.2010.06.125 | Rattus norvegicus | 2 |
| 20643545 | 10.1016/j.bmcl.2010.06.125 | Mus musculus | 1 |
| 20643545 | 10.1016/j.bmcl.2010.06.125 | Liver | 1 |
| 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