Compound Detail
CHEMBL4551828
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Basic Information
| ChEMBL ID | CHEMBL4551828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REVIVPUSKPEBSK-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
2.81
ALogP
6
HBA
3
HBD
76.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KK-47 cell line CHEMBL614674 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| T-24 CHEMBL614774 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
| 786-0 CHEMBL613102 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.52 | 4.52 | 30300.0 | 1 |
| PNT1A CHEMBL4513131 | IC50 | 4.52 | 4.52 | 29900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KK-47 cell line | IC50 | = | 9600.0 | nM | 5.02 | Antiproliferative activity against human KK47 cells assessed as reduction in cel... | 31759851 |
| DU-145 | IC50 | = | 11600.0 | nM | 4.94 | Antiproliferative activity against human DU145 cells assessed as reduction in ce... | 31759851 |
| T-24 | IC50 | = | 13400.0 | nM | 4.87 | Antiproliferative activity against human T24 cells assessed as reduction in cell... | 31759851 |
| 786-0 | IC50 | = | 17500.0 | nM | 4.76 | Antiproliferative activity against human 786-O cells assessed as reduction in ce... | 31759851 |
| PNT1A | IC50 | = | 29900.0 | nM | 4.52 | Cytotoxicity against human PNT1A cells assessed as reduction in cell viability i... | 31759851 |
| PC-3 | IC50 | = | 30300.0 | nM | 4.52 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 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