Details of the Drug

General Information of Drug (ID: DMLY5IF)

Drug Name

IKs124

Synonyms

IKs124; SCHEMBL6559311; GTPL2591

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

350.5

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C18H26N2O3S
IUPAC Name: N-butyl-N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
Canonical SMILES: CCCCN(C1CC(OC2=C1C=C(C=C2)C#N)(C)C)S(=O)(=O)CC
InChI: InChI=1S/C18H26N2O3S/c1-5-7-10-20(24(21,22)6-2)16-12-18(3,4)23-17-9-8-14(13-19)11-15(16)17/h8-9,11,16H,5-7,10,12H2,1-4H3
InChIKey: VTICUGOJGKDYJD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv7.1 (KCNQ1)	TT846HF	KCNQ1_HUMAN	Blocker (channel blocker)	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2591).
2	Heteromeric KCNE2/KCNQ1 potassium channels in the luminal membrane of gastric parietal cells. J Physiol. 2004 Dec 1;561(Pt 2):547-57.