Compound Detail
CHEMBL609427
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Basic Information
| ChEMBL ID | CHEMBL609427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUBASELICLQTKP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2219543 |
| Active Moiety | CHEMBL2219543 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.7
MW (Da)
3.49
ALogP
2
HBA
0
HBD
61.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RT-112 CHEMBL614145 | IC50 | 6.09 | 6.075 | 820.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RT-112 | IC50 | = | 820.0 | nM | 6.09 | Cytotoxicity against NQO2 expressing human RT112 cells in presence of NRH cofact... | 17643990 |
| RT-112 | IC50 | = | 880.0 | nM | 6.06 | Cytotoxicity against NQO2 expressing human RT112 cells by MTT assay | 17643990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17643990 | 10.1016/j.bmc.2007.06.062 | RT-112 | 2 |
Data from ChEMBL 36 via Core Engine