Details of the Drug

General Information of Drug (ID: DMOHTC6)

Drug Name
Ruthenium red
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):
3		 Molecular Weight 786.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 14
Hydrogen Bond Acceptor Count 22
Chemical Identifiers
Formula
Cl6H42N14O2Ru3
IUPAC Name
azane;oxygen(2-);ruthenium;ruthenium(5+);hexachloride
Canonical SMILES
N.N.N.N.N.N.N.N.N.N.N.N.N.N.[O-2].[O-2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru+5].[Ru+5]
InChI
InChI=1S/6ClH.14H3N.2O.3Ru/h6*1H;14*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;2*-2;;2*+5/p-6
InChIKey
HURLCDYOFIWHCF-UHFFFAOYSA-H
Cross-matching ID
PubChem CID
656819
TTD ID
D02DZN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ryanodine receptor 1 (RYR1) TTU5CIX RYR1_HUMAN Antagonist [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: 2432).
2 Role of ryanodine receptor channels in Ca2+ oscillations of porcine tracheal smooth muscle. Am J Physiol. 1997 Apr;272(4 Pt 1):L659-64.