Details of the Drug

General Information of Drug (ID: DMLPMAY)

Drug Name

VU0405601

Synonyms

VU 0405601; VU-0405601

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)

357.2

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H13BrN2O2
IUPAC Name: 2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-3-ylacetamide
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC3=CN=CC=C3
InChI: InChI=1S/C17H13BrN2O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)22-11-16(21)20-13-5-3-9-19-10-13/h1-10H,11H2,(H,20,21)
InChIKey: WLLRAGBPCSOJNH-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 Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Activator	[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: 7662).
2	Identification and characterization of a compound that protects cardiac tissue from human Ether- -go-go-related gene (hERG)-related drug-induced arrhythmias. J Biol Chem. 2012 Nov 16;287(47):39613-25.