Compound Detail
CHEMBL4460989
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Basic Information
| ChEMBL ID | CHEMBL4460989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCUPZFSEJFWQIS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
5.08
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| HA22T cell line CHEMBL614807 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| NCI-H1703 CHEMBL1075522 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 800.0 | nM | 6.1 | Cytotoxicity against human PLC5 cells assessed as reduction in cell viability in... | - |
| Hep 3B2 | IC50 | = | 900.0 | nM | 6.05 | Cytotoxicity against human Hep3B cells assessed as reduction in cell viability i... | - |
| HA22T cell line | IC50 | = | 900.0 | nM | 6.05 | Cytotoxicity against human HA22T cells assessed as reduction in cell viability i... | - |
| SK-HEP1 | IC50 | = | 1200.0 | nM | 5.92 | Cytotoxicity against human SKHEP1 cells assessed as reduction in cell viability ... | - |
| NCI-H1703 | IC50 | = | 3800.0 | nM | 5.42 | Cytotoxicity against human NCI-H1703 cells assessed as reduction in cell viabili... | - |
Data from ChEMBL 36 via Core Engine