Compound Detail
CHEMBL534675
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
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL534675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGCOMBKZFUMALE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
484.2
MW (Da)
7.41
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.52 | 5.8833 | 300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human CRL2813 cells after 5 days by SRB assay | 22153346 |
| NON-PROTEIN TARGET | IC50 | = | 1800.0 | nM | 5.75 | Antiproliferative activity against human CRL2351 cells after 5 days by SRB assay | 22153346 |
| NON-PROTEIN TARGET | IC50 | = | 4200.0 | nM | 5.38 | Antiproliferative activity against mouse KLN205 cells after 5 days by SRB assay | 22153346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153346 | 10.1016/j.bmcl.2011.10.126 | Eukaryotic translation initiation factor 2-alpha kinase 1 | 8 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 22153346 | 10.1016/j.bmcl.2011.10.126 | NON-PROTEIN TARGET | 3 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 22153346 | 10.1016/j.bmcl.2011.10.126 | No relevant target | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| 34355177 | 10.1039/D1MD00058F | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine