Compound Detail
CHEMBL496792
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL496792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQOCNRGAIWUUSY-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
3.47
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.35
EC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 7.35 | 7.35 | 44.9 | 1 |
| HCC827 CHEMBL4296422 | IC50 | 7.31 | 7.31 | 49.2 | 1 |
| T47D CHEMBL614361 | EC50 | 7.28 | 7.28 | 52.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.11 | 7.11 | 77.8 | 1 |
| A549 CHEMBL392 | IC50 | 7.05 | 7.05 | 88.1 | 1 |
| NCI-H1299 CHEMBL612255 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 44.91 | nM | 7.35 | Antiproliferative activity against human SK-OV-3 cells incubated for 48 hrs by C... | 38972078 |
| HCC827 | IC50 | = | 49.19 | nM | 7.31 | Antiproliferative activity against human HCC827 cells incubated for 48 hrs by CC... | 38972078 |
| T47D | EC50 | = | 52.0 | nM | 7.28 | Induction of apoptosis in human T47D cells assessed as caspase activation after ... | 19464890 |
| A2780 | IC50 | = | 77.81 | nM | 7.11 | Antiproliferative activity against human A2780 cells incubated for 48 hrs by CCK... | 38972078 |
| A549 | IC50 | = | 88.06 | nM | 7.05 | Antiproliferative activity against human A549 cells incubated for 48 hrs by CCK8... | 38972078 |
| NCI-H1299 | EC50 | = | 240.0 | nM | 6.62 | Induction of apoptosis in human H1299 cells assessed as caspase activation after... | 19464890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19464890 | 10.1016/j.bmcl.2009.04.145 | T47D | 1 |
| 19464890 | 10.1016/j.bmcl.2009.04.145 | NCI-H1299 | 1 |
| 19464890 | 10.1016/j.bmcl.2009.04.145 | Unchecked | 1 |
| 38972078 | 10.1016/j.ejmech.2024.116649 | A549 | 1 |
| 38972078 | 10.1016/j.ejmech.2024.116649 | A2780 | 1 |
| 38972078 | 10.1016/j.ejmech.2024.116649 | SK-OV-3 | 1 |
| 38972078 | 10.1016/j.ejmech.2024.116649 | HCC827 | 1 |
Data from ChEMBL 36 via Core Engine