Compound Detail
CHEMBL501480
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N#Cc1ccc2cc1Oc1cccc(c1)C(c1ccccc1)N1CC[C@@H](NCc3cncn3C2)C1=O
Basic Information
| ChEMBL ID | CHEMBL501480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEBNHTSMTQUOQB-HSLSYKTRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
4.39
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.5 | 6.02 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human ERG channel | 19534531 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of human ERG channel | 19534531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19534531 | 10.1021/jm900002x | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
Data from ChEMBL 36 via Core Engine