Compound Detail
CHEMBL175596
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Basic Information
| ChEMBL ID | CHEMBL175596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXUODZKNCJWKGP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
3.72
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.5 | 6.5 | 317.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.75 | 4.75 | 17600.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 317.0 | nM | 6.5 | Inhibitory activity against PDGFRbeta kinase | 16366598 |
| HCT-116 | IC50 | = | 17500.0 | nM | 4.76 | Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay | 24900662 |
| HeLa | IC50 | = | 17600.0 | nM | 4.75 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 24900662 |
| HepG2 | IC50 | = | 24200.0 | nM | 4.62 | Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay | 24900662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25938266 | 10.1021/acs.jmedchem.5b00035 | HeLa | 3 |
| 24900662 | 10.1021/ml3004632 | Hypoxia-inducible factor 1-alpha | 2 |
| 16366598 | 10.1021/jm050680m | Platelet-derived growth factor receptor beta | 1 |
| 24900662 | 10.1021/ml3004632 | HeLa | 1 |
| 24900662 | 10.1021/ml3004632 | PC-3 | 1 |
| 24900662 | 10.1021/ml3004632 | HepG2 | 1 |
| 24900662 | 10.1021/ml3004632 | HCT-116 | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | HCT-116 | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | PC-3 | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine