Compound Detail
CHEMBL4470514
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Basic Information
| ChEMBL ID | CHEMBL4470514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVXYMPRZTXTBDS-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
2.52
ALogP
7
HBA
4
HBD
96.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-24 CHEMBL614774 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
| PNT1A CHEMBL4513131 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| KK-47 cell line CHEMBL614674 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
| 786-0 CHEMBL613102 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.39 | 4.39 | 40400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-24 | IC50 | = | 15600.0 | nM | 4.81 | Antiproliferative activity against human T24 cells assessed as reduction in cell... | 31759851 |
| PNT1A | IC50 | = | 17100.0 | nM | 4.77 | Cytotoxicity against human PNT1A cells assessed as reduction in cell viability i... | 31759851 |
| PC-3 | IC50 | = | 17700.0 | nM | 4.75 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 31759851 |
| KK-47 cell line | IC50 | = | 17900.0 | nM | 4.75 | Antiproliferative activity against human KK47 cells assessed as reduction in cel... | 31759851 |
| 786-0 | IC50 | = | 18500.0 | nM | 4.73 | Antiproliferative activity against human 786-O cells assessed as reduction in ce... | 31759851 |
| DU-145 | IC50 | = | 20300.0 | nM | 4.69 | Antiproliferative activity against human DU145 cells assessed as reduction in ce... | 31759851 |
| HEK293 | IC50 | = | 40400.0 | nM | 4.39 | Cytotoxicity against human HEK293 cells assessed as reduction in cell viability ... | 31759851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31759851 | 10.1016/j.bmcl.2019.126744 | HEK293 | 1 |
| 31759851 | 10.1016/j.bmcl.2019.126744 | PNT1A | 1 |
| 31759851 | 10.1016/j.bmcl.2019.126744 | PC-3 | 1 |
| 31759851 | 10.1016/j.bmcl.2019.126744 | DU-145 | 1 |
| 31759851 | 10.1016/j.bmcl.2019.126744 | KK-47 cell line | 1 |
| 31759851 | 10.1016/j.bmcl.2019.126744 | T-24 | 1 |
| 31759851 | 10.1016/j.bmcl.2019.126744 | 786-0 | 1 |
Data from ChEMBL 36 via Core Engine