Compound Detail
CHEMBL1914909
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Basic Information
| ChEMBL ID | CHEMBL1914909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJTJATCTDIBIOJ-RZNTYIFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
3.94
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.38 | 4.38 | 42100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 42100.0 | nM | 4.38 | Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay | 22019188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 4 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 4 | 2 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | HepG2 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | ADMET | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | PC-3 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | K562 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | HL-60 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | HCT-116 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | A549 | 1 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine