Compound Detail
CHEMBL401928
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Basic Information
| ChEMBL ID | CHEMBL401928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYECURVXVYPVAT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
199.1
MW (Da)
2.65
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 6.01 | 6.01 | 984.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 984.0 | nM | 6.01 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability b... | 30594028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11929285 | 10.1021/jf011108g | Lactuca sativa | 7 |
| 11929285 | 10.1021/jf011108g | Trifolium pratense | 6 |
| 11929285 | 10.1021/jf011108g | Lolium multiflorum | 6 |
| 11929285 | 10.1021/jf011108g | Physalis ixocarpa | 5 |
| 36966660 | 10.1016/j.bmc.2023.117255 | Molecular identity unknown | 4 |
| 18006320 | 10.1016/j.bmc.2007.10.096 | 3-alpha-hydroxysteroid dehydrogenase | 3 |
| 11929285 | 10.1021/jf011108g | Radical scavenging activity | 1 |
| 11929285 | 10.1021/jf011108g | Spinacia oleracea | 1 |
| 30594028 | 10.1016/j.ejmech.2018.11.026 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine