Compound Detail
CHEMBL5531963
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Cc1ccc(N2CCC(NC(=O)CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5531963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYXYPDVUVVIGEI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.0
MW (Da)
4.47
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCCLM3 CHEMBL5465453 | IC50 | 4.24 | 4.24 | 57310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCCLM3 | IC50 | = | 57310.0 | nM | 4.24 | Antitumor activity against human HCCLM3 cells assessed as inhibition of cell gro... | 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