Compound Detail
CHEMBL5413669
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Basic Information
| ChEMBL ID | CHEMBL5413669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGOMMIQEHAGKMX-FOWTUZBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
7.75
ALogP
3
HBA
0
HBD
17.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.23 | 4.23 | 58700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 58700.0 | nM | 4.23 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... | 37036951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37036951 | 10.1021/acs.jmedchem.2c01808 | HepG2 | 1 |
| 37036951 | 10.1021/acs.jmedchem.2c01808 | HCT-116 | 1 |
| 37036951 | 10.1021/acs.jmedchem.2c01808 | NCM460 | 1 |
Data from ChEMBL 36 via Core Engine