Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 74QU6P2934

Structure

InChI Key MREBEPTUUMTTIA-PCLIKHOPSA-N
Smile CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1
InChI
InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H28ClN5O3
Molecular Weight 457.96
AlogP 3.23
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 72.6
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 400-1413 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34545
ChEMBL CHEMBL123558
FDA SRS 74QU6P2934
Guide to Pharmacology 2588
KEGG C13777
PubChem 60939
SureChEMBL SCHEMBL26354
ZINC ZINC000021983255