Compound Detail
CHEMBL1264
5-HYDROXY PROPAFENONE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1264 |
| Name | 5-HYDROXY PROPAFENONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUTWDNUXHDYZRA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.95
ALogP
5
HBA
3
HBD
78.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 5.52 | 5.52 | 3021.0 | 1 |
| CCRF-CEM/VCR-1000 CHEMBL614540 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 3021.0 | nM | 5.52 | Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin... | 17352460 |
| CCRF-CEM/VCR-1000 | IC50 | = | 3020.0 | nM | 5.52 | In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-C... | 14584949 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 40000.0 | nM | 4.4 | Inhibitory concentration against IKr potassium channel | 15324906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584949 | 10.1021/jm030876r | No relevant target | 2 |
| 14584949 | 10.1021/jm030876r | CCRF-CEM/VCR-1000 | 1 |
| 15324906 | 10.1016/j.bmcl.2004.06.070 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17352460 | 10.1021/jm060604z | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine