Compound Detail
CHEMBL4786759
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Basic Information
| ChEMBL ID | CHEMBL4786759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQXVPPLWRHCUKN-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.50
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.27
Kd 3 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 4.27 | 4.27 | 53290.0 | 1 |
| CHO-K1 CHEMBL614031 | IC50 | 4.2 | 4.2 | 62900.0 | 1 |
| quadruplex DNA CHEMBL3832742 | Kd | 4.14 | 4.14 | 72270.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 4.07 | 4.07 | 84680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 53290.0 | nM | 4.27 | Cytotoxicity against human PC3 cells assessed as reduction in cell viability mea... | 34046624 |
| CHO-K1 | IC50 | = | 62900.0 | nM | 4.2 | Cytotoxicity against human CHO-K1 cells assessed as reduction in cell viability ... | 34046624 |
| quadruplex DNA | Kd | = | 72270.0 | nM | 4.14 | Binding affinity to Tel Q G-quadruplex DNA (unknown origin) assessed as dissocia... | 34046624 |
| B16-F10 | IC50 | = | 84680.0 | nM | 4.07 | Cytotoxicity against mouse B16-F10 cells assessed as reduction in cell viability... | 34046624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34046624 | 10.1039/d0md00414f | PC-3 | 19 |
| 34046624 | 10.1039/d0md00414f | quadruplex DNA | 13 |
| 34046624 | 10.1039/d0md00414f | CHO-K1 | 11 |
| 34046624 | 10.1039/d0md00414f | dsDNA | 7 |
| 34046624 | 10.1039/d0md00414f | B16-F10 | 1 |
| 34046624 | 10.1039/d0md00414f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine