Compound Detail
CHEMBL4094185
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Basic Information
| ChEMBL ID | CHEMBL4094185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZOOTBJBBRBNEZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
5.36
ALogP
3
HBA
0
HBD
46.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.58 | 4.58 | 26400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 116.0 | nM | 6.94 | Inhibition of Kv1.5 (unknown origin) | 28131713 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 26400.0 | nM | 4.58 | Displacement of [3H]-MK499 from human ERG IKr channel expressed in HEK293 cell m... | 28131713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28131713 | 10.1016/j.bmcl.2016.12.054 | ADMET | 3 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 28131713 | 10.1016/j.bmcl.2016.12.054 | Potassium voltage-gated channel subfamily A member 5 | 1 |
Data from ChEMBL 36 via Core Engine