Compound Detail
CHEMBL3322515
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Basic Information
| ChEMBL ID | CHEMBL3322515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTEXNACQROZXEV-KVQQJBJPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.76
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.54 | 5.225 | 2900.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.75 | 4.75 | 17600.0 | 1 |
| C6 CHEMBL614657 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2900.0 | nM | 5.54 | Cytotoxicity against human HL60 cells assessed as cell viability after 72 hrs by... | 25102048 |
| NON-PROTEIN TARGET | IC50 | = | 12300.0 | nM | 4.91 | Cytotoxicity against human SUM159 cells assessed as cell viability after 72 hrs ... | 25102048 |
| MCF7 | IC50 | = | 17600.0 | nM | 4.75 | Cytotoxicity against human MCF7 cells assessed as cell viability after 72 hrs by... | 25102048 |
| C6 | IC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against rat C6 cells assessed as cell viability after 72 hrs by CCK... | 25102048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25102048 | 10.1021/jm5009456 | NON-PROTEIN TARGET | 2 |
| 25102048 | 10.1021/jm5009456 | C6 | 1 |
| 25102048 | 10.1021/jm5009456 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine