Compound Detail
CHEMBL2391732
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 | CHEMBL2391732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDMBXRLLXGRDKR-AYKLPDECSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.05
ALogP
5
HBA
2
HBD
64.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.36 | 4.36 | 43600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 4.24 | 4.24 | 57300.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.11 | 4.11 | 78100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 2300.0 | nM | 5.64 | Antioxidant activity assessed as DPPH free radical scavenging activity | 23357628 |
| HepG2 | IC50 | = | 43600.0 | nM | 4.36 | Cytotoxicity against human HepG2 cells assessed as growth inhibition after 72 hr... | 23357628 |
| NON-PROTEIN TARGET | IC50 | = | 45000.0 | nM | 4.35 | Antioxidant activity assessed as galvinoxyl free radical scavenging activity | 23357628 |
| SGC-7901 | IC50 | = | 57300.0 | nM | 4.24 | Cytotoxicity against human SGC7901 cells assessed as growth inhibition after 72 ... | 23357628 |
| A549 | IC50 | = | 78100.0 | nM | 4.11 | Cytotoxicity against human A549 cells assessed as growth inhibition after 72 hrs... | 23357628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23357628 | 10.1016/j.bmcl.2012.12.098 | NON-PROTEIN TARGET | 6 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | Radical scavenging activity | 6 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | HCT-116 | 1 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | A549 | 1 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | SGC-7901 | 1 |
| 23357628 | 10.1016/j.bmcl.2012.12.098 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine