The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

levosimendan
Synonyms

1-cyano-N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}methanecarbohydrazonoyl cyanide

levosimendanum

Simdax

({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile

levosimendan

C14H12N6O

ID

http://purl.obolibrary.org/obo/CHEBI_50567

ATCCode

C01CX08

binds

http://purl.obolibrary.org/obo/dinto_1014

http://purl.obolibrary.org/obo/dinto_1941

http://purl.obolibrary.org/obo/dinto_2350

http://purl.obolibrary.org/obo/dinto_3464

CASRN

141505-33-1

DBBrand

simdax

simendan

DBname

levosimendan

DBSynonym

levosimedan

Definition

A pyridazinone that has formula C14H12N6O.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_1941

http://purl.obolibrary.org/obo/dinto_2350

http://purl.obolibrary.org/obo/dinto_3464

has role

http://purl.obolibrary.org/obo/CHEBI_38070

http://purl.obolibrary.org/obo/CHEBI_50568

http://purl.obolibrary.org/obo/CHEBI_35620

http://purl.obolibrary.org/obo/CHEBI_38147

InChI

InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1

InChIKey

InChIKey=WHXMKTBCFHIYNQ-SECBINFHSA-N

induces

http://purl.obolibrary.org/obo/dinto_2350

http://purl.obolibrary.org/obo/dinto_3464

inhibits

http://purl.obolibrary.org/obo/dinto_1014

label

levosimendan

prefixIRI

obo2:CHEBI_50567

prefLabel

levosimendan

related with

http://purl.obolibrary.org/obo/dinto_1941

SMILES

C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1

C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1

Synonym

1-cyano-N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}methanecarbohydrazonoyl cyanide

levosimendanum

Simdax

({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile

levosimendan

C14H12N6O

xref

ChemSpider:2298414

ChEBI:50567

Patent:US5569657

PubChem Compound:3033825

CASRN:141505-33-1

ChEMBL:1452913

DrugBank:DB00922

KEGG DRUG:D04720

Wikipedia:http://en.wikipedia.org/wiki/Levosimendan

PharmGKB:PA164749138

PubChem Substance:46507149

Patent:GB2251615

Beilstein:6959885

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_50567 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50567 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_50567 DRON LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025636 PMAPP-PMO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C174653 NCIT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0246904 OCHV LOOM
http://www.drugbank.ca/drugs/DB00922 FTC LOOM
https://go.drugbank.com/drugs/DB00922 MDM LOOM
http://purl.bioontology.org/ontology/RXNORM/73107 RXNORM LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#25147 OCHV LOOM
http://bmi.utah.edu/ontologies/peontology/C0246904 PE LOOM
http://purl.obolibrary.org/obo/CHEBI_50567 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_50567 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_50567 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_50567 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_50567 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_50567 NIFSTD LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/442795003 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/NCIT_C174653 BERO LOOM
http://purl.bioontology.org/ontology/NDDF/009718 NDDF LOOM
http://bmi.utah.edu/ontologies/hfontology/C0246904 HFO LOOM
http://purl.bioontology.org/ontology/ATC/C01CX08 ATC LOOM