Details of the Drug

General Information of Drug (ID: DMTNVP4)

Drug Name

LY97241

Synonyms

LY 97241; LY-97241

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): 2

Molecular Weight (mw)

320.5

Logarithm of the Partition Coefficient (xlogp)

6

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H32N2O2
IUPAC Name: N-ethyl-N-[4-(4-nitrophenyl)butyl]heptan-1-amine
Canonical SMILES: CCCCCCCN(CC)CCCCC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C19H32N2O2/c1-3-5-6-7-9-16-20(4-2)17-10-8-11-18-12-14-19(15-13-18)21(22)23/h12-15H,3-11,16-17H2,1-2H3
InChIKey: YTYATOMQOOFRNA-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 Kv10.1 (KCNH1)	TT9XKUC	KCNH1_HUMAN	Blocker (channel blocker)	[2]
Voltage-gated potassium channel Kv10.2 (KCNH5)	TTX8LQ0	KCNH5_HUMAN	Blocker (channel blocker)	[3]

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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: 2606).
2	Inhibition of hEAG1 and hERG1 potassium channels by clofilium and its tertiary analogue LY97241. Br J Pharmacol. 2003 Jan;138(1):161-71.
3	Molecular determinants for high-affinity block of human EAG potassium channels by antiarrhythmic agents. Mol Pharmacol. 2004 May;65(5):1120-9.