Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NGB50MQK8N

Structure

InChI Key XGKULQQVQWCASY-UHFFFAOYSA-N
Smile NS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChI
InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H20N6O2S
Molecular Weight 468.54
AlogP 4.01
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 123.75
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 2 D001281 ClinicalTrials
Acute Coronary Syndrome 1 D054058 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1272353-82-8
ChEMBL CHEMBL4094440
DrugBank DB15047
FDA SRS NGB50MQK8N
PubChem 51030730
SureChEMBL SCHEMBL1502673
ZINC ZINC000116369258