Compound Detail
CHEMBL5556253
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Basic Information
| ChEMBL ID | CHEMBL5556253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRYANPGXXLTDLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.7
MW (Da)
4.00
ALogP
3
HBA
2
HBD
82.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MHCC97H CHEMBL4296470 | IC50 | 4.92 | 4.92 | 11960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MHCC97H | IC50 | = | 11960.0 | nM | 4.92 | Antitumor activity against human MHCC97H cells assessed as inhibition of cell gr... | 38919032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38919032 | 10.1021/acs.jmedchem.4c00242 | MHCC97H | 1 |
| 38919032 | 10.1021/acs.jmedchem.4c00242 | HCCLM3 | 1 |
Data from ChEMBL 36 via Core Engine