Compound Detail
CHEMBL1408585
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Basic Information
| ChEMBL ID | CHEMBL1408585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVEHKGROSRNRCP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
3.03
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.54
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.54 | 5.91 | 290.0 | 2 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.52 | 4.52 | 30020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 290.0 | nM | 6.54 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 5200.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dosage response for compounds that protect hERG from block by ... | - |
| Aminopeptidase N | IC50 | = | 30020.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine