ruxolitinib (CHEBI:66919)

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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:

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.

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

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

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

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.

antirheumatic drug A drug used to treat rheumatoid arthritis.

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

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.

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

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