The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

ruxolitinib

Synonyms

C17H18N6

(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

INCB018424

ruxolitinib

(3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile

ID

http://purl.obolibrary.org/obo/CHEBI_66919

AHFScode

10:00

ATCCode

L01XE18

CASRN

941678-49-5

DBBrand

jakavi

jakafi

DBSalt

ruxolitinib phosphate

DBSynonym

incb424

incb018424

incb 18424

Definition

Ruxolitinib is a janus-associated kinase inhibitor indicated to treat bone marrow cancer, specifically intermediate or high-risk myelofibrosis. FDA approved on November 16, 2011.

A pyrazole substituted at position 1 by a 2-cyano-1-cyclopentylethyl group and at position 3 by a pyrrolo[2,3-d]pyrimidin-4-yl group. Used as the phosphate salt for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2883

http://purl.obolibrary.org/obo/dinto_3808

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_66921

InChI

InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1

InChIKey

InChIKey=HFNKQEVNSGCOJV-OAHLLOKOSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_2883

http://purl.obolibrary.org/obo/dinto_3808

is metabolised by

http://purl.obolibrary.org/obo/dinto_0901

label

ruxolitinib

may interact with

http://purl.obolibrary.org/obo/dinto_DB01167

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/dinto_DB01026

http://purl.obolibrary.org/obo/CHEBI_28077

prefixIRI

obo2:CHEBI_66919

prefLabel

ruxolitinib

SMILES

N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12

Synonym

C17H18N6

(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

INCB018424

ruxolitinib

(3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile

xref

CiteXplore:22474318

Drugs.com:http://www.drugs.com/mtm/ruxolitinib.html

CASRN:941678-49-5

CiteXplore:22544377

CiteXplore:22227528

CiteXplore:22375971

Patent:US2008312258

National Drug Code Directory:50881-025-60

Wikipedia:Ruxolitinib

CiteXplore:21926964

CiteXplore:22422826

Reaxys:18703668

CiteXplore:22281165

CiteXplore:22718840

CiteXplore:22830345

CiteXplore:22034658

CiteXplore:21602517

RxList:http://www.rxlist.com/jakafi-drug.htm

CiteXplore:21919691

Patent:US2010190981

CiteXplore:22279053

ChEBI:66919

CiteXplore:22375970

ChEMBL:1253572

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

KEGG DRUG:D09959

CiteXplore:22399854

subClassOf

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

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http://purl.obolibrary.org/obo/CHEBI_66919 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 COVID-19 SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 CIDO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_66919 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_66919 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_66919 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_66919 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_66919 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_66919 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_66919 CIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_66919 CHEBI LOOM
http://purl.bioontology.org/ontology/MESH/C540383 MESH LOOM
http://www.drugbank.ca/drugs/DB08877 FTC LOOM
http://purl.bioontology.org/ontology/RXNORM/1193326 RXNORM LOOM
http://purl.bioontology.org/ontology/ATC/D11AH09 ATC LOOM
http://purl.bioontology.org/ontology/NDDF/014040 NDDF LOOM
http://purl.bioontology.org/ontology/VANDF/4031235 VANDF LOOM
http://purl.obolibrary.org/obo/NCIT_C77888 BERO LOOM
http://www.semanticweb.org/cjf/ontologies/2022/8/NeuralReprogrammingOntology(NRO)#ruxolitinib NRO LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026238 PMAPP-PMO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C77888 NCIT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/702806008 SNOMEDCT LOOM
http://purl.jp/bio/4/id/201506000105804274 IOBC LOOM
http://purl.bioontology.org/ontology/ATC/L01EJ01 ATC LOOM
https://go.drugbank.com/drugs/DB08877 MDM LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000184017 NDFRT LOOM
http://stirdf.jst.go.jp/id/200907097823871906 IOBC LOOM