ruxolitinib (CHEBI:66919)

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

CHEBI:66919 - ruxolitinib

ChEBI ID	CHEBI:66919
ChEBI Name	ruxolitinib
Stars
Definition	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.
Last Modified	22 February 2017
Submitter	Steve
Downloads	Molfile

Formula	C17H18N6
Net Charge	0
Average Mass	306.373
Monoisotopic Mass	306.15929
SMILES	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3nccc23)cn1
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	HFNKQEVNSGCOJV-OAHLLOKOSA-N

Wikipedia

Roles Classification

Biological Roles:

anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.

antiviral agent A substance that destroys or inhibits replication of viruses.

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).

immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

Applications:

antirheumatic drug A drug used to treat rheumatoid arthritis.

antifibrotic agent Any agent which acts to reduce fibrosis.

anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood.

antipsoriatic A drug used to treat psoriasis.

dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	ruxolitinib (CHEBI:66919) has role anti-anaemic agent (CHEBI:75835)
	ruxolitinib (CHEBI:66919) has role anti-HIV agent (CHEBI:64946)
	ruxolitinib (CHEBI:66919) has role antifibrotic agent (CHEBI:233423)
	ruxolitinib (CHEBI:66919) has role antimicrobial agent (CHEBI:33281)
	ruxolitinib (CHEBI:66919) has role antineoplastic agent (CHEBI:35610)
	ruxolitinib (CHEBI:66919) has role antipsoriatic (CHEBI:50748)
	ruxolitinib (CHEBI:66919) has role antirheumatic drug (CHEBI:35842)
	ruxolitinib (CHEBI:66919) has role antiviral agent (CHEBI:22587)
	ruxolitinib (CHEBI:66919) has role dermatologic drug (CHEBI:50177)
	ruxolitinib (CHEBI:66919) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
	ruxolitinib (CHEBI:66919) has role immunosuppressive agent (CHEBI:35705)
	ruxolitinib (CHEBI:66919) is a nitrile (CHEBI:18379)
	ruxolitinib (CHEBI:66919) is a pyrazoles (CHEBI:26410)
	ruxolitinib (CHEBI:66919) is a pyrrolopyrimidine (CHEBI:38670)
Incoming Relation(s)
Incoming Relation(s)	ruxolitinib phosphate (CHEBI:66917) has part ruxolitinib (CHEBI:66919)

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

INN	Source
ruxolitinib	KEGG DRUG

Synonyms	Source
INC-424	ChEMBL
INC424	ChEMBL
INCB-018424	ChEMBL
INCB018424	ChemIDplus
INCB-18424	ChEMBL
Ruxolitinib, s-	ChEMBL

Manual Xrefs	Databases
4190	DrugCentral
D09959	KEGG DRUG
LSM-1139	LINCS
Ruxolitinib	Wikipedia
US2008312258	Patent
US2010190981	Patent

Registry Numbers	Sources
Reaxys:18703668	Reaxys
CAS:941678-49-5	KEGG DRUG
CAS:941678-49-5	ChemIDplus

Citations