Compound Detail
CHEMBL6061336
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O=C(c1cccc(OC2CCOCC2)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
Basic Information
| ChEMBL ID | CHEMBL6061336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPNXENFBMHSTAW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.0
MW (Da)
4.57
ALogP
7
HBA
0
HBD
72.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 | IC50 | = | 240.0 | nM | 6.62 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
| Potassium channel subfamily K member 3 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition In Vito Assay: The investigations on the inhibition of the recombinan... | - |
Data from ChEMBL 36 via Core Engine