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]
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
PubChem CID
1301094
ChEBI ID
CHEMBL1418045
TTD ID
D03WAE
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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.