Compound Detail
CHEMBL2023284
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Basic Information
| ChEMBL ID | CHEMBL2023284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTIOUUQHWVNUFO-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
260.7
MW (Da)
3.91
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LoVo CHEMBL614721 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.58 | 4.53 | 26000.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 25000.0 | nM | 4.6 | Growth inhibition of human LoVo cells by MTT assay | 24374273 |
| NON-PROTEIN TARGET | IC50 | = | 26000.0 | nM | 4.58 | Growth inhibition of human U373 cells by MTT assay | 24374273 |
| PC-3 | IC50 | = | 27000.0 | nM | 4.57 | Growth inhibition of human PC3 cells by MTT assay | 24374273 |
| SK-MEL-28 | IC50 | = | 31000.0 | nM | 4.51 | Growth inhibition of human SK-MEL-28 cells by MTT assay | 24374273 |
| NON-PROTEIN TARGET | IC50 | = | 33000.0 | nM | 4.48 | Growth inhibition of human Hs683 cells by MTT assay | 24374273 |
| A549 | IC50 | = | 34000.0 | nM | 4.47 | Growth inhibition of human A549 cells by MTT assay | 24374273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24374273 | 10.1016/j.bmcl.2013.12.049 | NON-PROTEIN TARGET | 3 |
| 22483633 | 10.1016/j.ejmech.2012.03.039 | Trypanosoma cruzi | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | Lu1 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | LNCaP | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | KB | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | Col2 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | LoVo | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | PC-3 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | SK-MEL-28 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | A549 | 1 |
Data from ChEMBL 36 via Core Engine