Compound Detail
CHEMBL184014
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Basic Information
| ChEMBL ID | CHEMBL184014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXFHZPNMOBHODH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
3.92
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 6100.0 | nM | 5.21 | Inhibitory concentration against IKr potassium channel | 15324906 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 28500.0 | nM | 4.54 | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in gu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324906 | 10.1016/j.bmcl.2004.06.070 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine