EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66917 - ruxolitinib phosphate

Default Structure
ChEBI IDCHEBI:66917
ChEBI Nameruxolitinib phosphate
Stars
DefinitionA phosphate salt obtained by reaction ruxolitinib with one equivalent of phosphoric acid. Used for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis.
Last Modified2 August 2012
SubmitterSteve
DownloadsMolfile
FormulaC17H18N6.H3O4P
Net Charge0
Average Mass404.367
Monoisotopic Mass404.13619
SMILESN#CC[C@H](C1CCCC1)n1cc(-c2ncnc3nccc23)cn1.O=P(O)(O)O
InChIInChI=1S/C17H18N6.H3O4P/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;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1
InChIKeyJFMWPOCYMYGEDM-XFULWGLBSA-N
Roles Classification
Biological Roles:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Applications:
antipsoriatic  A drug used to treat psoriasis.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antifibrotic agent  Any agent which acts to reduce fibrosis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
ChEBI Ontology
Outgoing Relation(s)
ruxolitinib phosphate (CHEBI:66917) has part ruxolitinib (CHEBI:66919)
ruxolitinib phosphate (CHEBI:66917) has role antifibrotic agent (CHEBI:233423)
ruxolitinib phosphate (CHEBI:66917) has role antimalarial (CHEBI:38068)
ruxolitinib phosphate (CHEBI:66917) has role antineoplastic agent (CHEBI:35610)
ruxolitinib phosphate (CHEBI:66917) has role antipsoriatic (CHEBI:50748)
ruxolitinib phosphate (CHEBI:66917) has role dermatologic drug (CHEBI:50177)
ruxolitinib phosphate (CHEBI:66917) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
ruxolitinib phosphate (CHEBI:66917) is a phosphate salt (CHEBI:37853)
IUPAC Name 
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile phosphate
Synonyms  Source
INCB-018424 PHOSPHATEChEMBL
INCB018424 PHOSPHATEChEMBL
INCB-018424 SALTChEMBL
INCB018424 SALTChEMBL
INCB-18424 PHOSPHATEChEMBL
OpzeluraChEMBL
Brand Name  Source
JakafiKEGG DRUG
Manual XrefsDatabases
D09960KEGG DRUG
US2008312259Patent
US2010190981Patent
Registry NumbersSources
Reaxys:18762556Reaxys
CAS:1092939-17-7ChemIDplus
CAS:1092939-17-7KEGG DRUG
Citations