The Prescription of Drugs Ontology

Last uploaded: September 4, 2020
Preferred Name

tofacitinib
Synonyms

tofacitinib

tofacitinibum

Tasocitinib

CP 690550

CP-690550

3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile

Definitions

A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.

ID

http://purl.obolibrary.org/obo/CHEBI_71200

alternative term

tofacitinib

tofacitinibum

Tasocitinib

CP 690550

CP-690550

3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile

bearer_of

http://purl.obolibrary.org/obo/CHEBI_76617

http://purl.obolibrary.org/obo/CHEBI_35842

charge

0

database_cross_reference

Drug_Central:4713

PMID:22916341

PMID:22006202

PMID:21952978

PMID:22873530

PMID:22873531

PMID:22591402

PMID:22682022

KEGG:D09970

PMID:22357358

LINCS:LSM-1227

Patent:WO2010123919

PMID:23150969

PMID:22233204

PMID:22899318

Patent:WO2007012953

PMID:22960764

Wikipedia:Tofacitinib

PMID:22525048

PMID:23150970

PMID:23150971

PMID:22894574

PMID:22576568

PMID:22460142

PMID:22607178

CAS:477600-75-2

PMID:22474037

PMID:22924949

PDBeChem:MI1

PMID:21971513

PMID:22802024

Reaxys:11647225

PMID:22147632

PMID:23055694

Patent:WO2007107318

PMID:22607938

formula

C16H20N6O

has role

http://purl.obolibrary.org/obo/CHEBI_76617

http://purl.obolibrary.org/obo/CHEBI_35842

has_exact_synonym

3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile

has_obo_namespace

chebi_ontology

has_related_synonym

tofacitinib

tofacitinibum

Tasocitinib

CP 690550

CP-690550

has_RxCUI

1357536

id

CHEBI:71200

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1

inchikey

UJLAWZDWDVHWOW-YPMHNXCESA-N

label

tofacitinib

mass

312.36960

monoisotopicmass

312.16986

notation

CHEBI:71200

prefixIRI

CHEBI:71200

prefLabel

tofacitinib

smiles

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N

textual definition

A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.

subClassOf

http://purl.obolibrary.org/obo/CHEBI_48591

http://purl.obolibrary.org/obo/CHEBI_18379

http://purl.obolibrary.org/obo/CHEBI_50996

http://purl.obolibrary.org/obo/CHEBI_38670

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_71200 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_71200 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_71200 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_71200 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_71200 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_71200 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_71200 OBA SAME_URI
http://purl.obolibrary.org/obo/CHEBI_71200 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_71200 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_71200 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_71200 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_71200 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_71200 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_71200 OBA LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C95800 NCIT LOOM
http://purl.bioontology.org/ontology/ATC/L04AF01 ATC LOOM
http://bmi.utah.edu/ontologies/peontology/C2930696 RAO LOOM
http://purl.jp/bio/4/id/201306077198912290 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C479163 RH-MESH LOOM
http://purl.obolibrary.org/obo/NCIT_C95800 BERO LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000759505 PDQ LOOM
https://go.drugbank.com/drugs/DB08895 MDM LOOM
http://purl.bioontology.org/ontology/MESH/C479163 MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4031786 VANDF LOOM
http://purl.bioontology.org/ontology/RXNORM/1357536 RXNORM LOOM
http://stirdf.jst.go.jp/id/200907032462795350 IOBC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026137 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000186059 NDFRT LOOM
http://purl.bioontology.org/ontology/NDDF/014743 NDDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/704313003 SNOMEDCT LOOM