Compound Detail
CHEMBL5905690
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COC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@@H]1[C@@H](C)OC2=O
Basic Information
| ChEMBL ID | CHEMBL5905690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURWVDPCSLFJBP-KZZSQCIBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
3.97
ALogP
6
HBA
1
HBD
115.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.32 | 4.32 | 47700.0 | 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 | = | 47700.0 | nM | 4.32 | MK-499 Filter Binding Assay: Drug cardiac arrhythmia is an important safety conc... | - |
Data from ChEMBL 36 via Core Engine