Compound Detail
CHEMBL177950
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Basic Information
| ChEMBL ID | CHEMBL177950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFDJNFIUFOYSPC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
4.09
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.6 | 4.585 | 25000.0 | 2 |
| T98G CHEMBL614775 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 25000.0 | nM | 4.6 | Growth inhibition of human Hs683 cells after 72 hrs by MTT assay | 22809560 |
| NON-PROTEIN TARGET | IC50 | = | 27000.0 | nM | 4.57 | Growth inhibition of human U373 cells after 72 hrs by MTT assay | 22809560 |
| T98G | IC50 | = | 40000.0 | nM | 4.4 | 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