Compound Detail
CHEMBL488767
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Basic Information
| ChEMBL ID | CHEMBL488767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTJHQTIUEBRECI-KVVJQUGZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
461.4
MW (Da)
5.54
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.09 | 5.09 | 8050.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human Scov3 cells after 72 hrs by MTT assay | 19046794 |
| PC-3 | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 19046794 |
| A549 | IC50 | = | 8050.0 | nM | 5.09 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 19046794 |
| NON-PROTEIN TARGET | IC50 | = | 10200.0 | nM | 4.99 | Cytotoxicity against human Caov3 cells after 72 hrs by MTT assay | 19046794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19046794 | 10.1016/j.ejmech.2008.10.019 | A549 | 1 |
| 19046794 | 10.1016/j.ejmech.2008.10.019 | PC-3 | 1 |
| 19046794 | 10.1016/j.ejmech.2008.10.019 | SK-OV-3 | 1 |
| 19046794 | 10.1016/j.ejmech.2008.10.019 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine