Compound Detail
CHEMBL176381
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 | CHEMBL176381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQMRTGYHVNXAEP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
4.72
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.54 | 4.505 | 29000.0 | 2 |
| T98G CHEMBL614775 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 29000.0 | nM | 4.54 | Growth inhibition of human U373 cells after 72 hrs by MTT assay | 22809560 |
| NON-PROTEIN TARGET | IC50 | = | 34000.0 | nM | 4.47 | Growth inhibition of human Hs683 cells after 72 hrs by MTT assay | 22809560 |
| T98G | IC50 | = | 54000.0 | nM | 4.27 | Growth inhibition of human T98G cells after 72 hrs by MTT assay | 22809560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658874 | 10.1021/jm040789e | Rattus norvegicus | 2 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | NON-PROTEIN TARGET | 2 |
| 18353509 | 10.1016/j.ejmech.2008.01.020 | ATP-binding cassette sub-family C member 9 | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | T98G | 1 |
Data from ChEMBL 36 via Core Engine