Compound Detail
CHEMBL200726
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Basic Information
| ChEMBL ID | CHEMBL200726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOANTDNTSHHMTE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.73
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.58 | 7.58 | 26.6 | 1 |
| PC-3 CHEMBL390 | IC50 | 7.45 | 7.45 | 35.6 | 1 |
| HEK293 CHEMBL614818 | IC50 | 7.27 | 7.27 | 53.6 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.66 | 6.66 | 217.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 8.9 | nM | 8.05 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 25938266 |
| HCT-116 | IC50 | = | 26.6 | nM | 7.58 | Antiproliferative activity against human HCT116 cells assessed as inhibition of ... | 25938266 |
| PC-3 | IC50 | = | 35.6 | nM | 7.45 | Antiproliferative activity against human PC3 cells assessed as inhibition of cel... | 25938266 |
| HEK293 | IC50 | = | 53.6 | nM | 7.27 | Antiproliferative activity against HEK293 cells assessed as inhibition of cell v... | 25938266 |
| Platelet-derived growth factor receptor beta | IC50 | = | 217.0 | nM | 6.66 | Inhibitory activity against PDGFRbeta kinase | 16366598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900662 | 10.1021/ml3004632 | Hypoxia-inducible factor 1-alpha | 2 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | Tubulin | 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 | HeLa | 1 |
| 25938266 | 10.1021/acs.jmedchem.5b00035 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine