Compound Detail
CHEMBL5982340
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CC(C)(O)CCc1cc(-c2cnc(-c3cnn4cc(C#N)cnc34)cc2NC2CCOCC2)n[nH]1
Basic Information
| ChEMBL ID | CHEMBL5982340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJFHTZQGOQETRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.35
ALogP
9
HBA
3
HBD
137.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-activated inward rectifier potassium channel 4 CHEMBL1914278 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-activated inward rectifier potassium channel 4 | IC50 | = | 2.0 | nM | 8.7 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine