eltrombopag (CHEBI:85010)

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CHEBI:85010 - eltrombopag

ChEBI ID	CHEBI:85010
ChEBI Name	eltrombopag
Stars
Definition	A hydrazine in which each nitrogen atom is substituted, one by a 3'-carboxy-2-hydroxy[1,1'-biphenyl]-3-yl group and the other by a 1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene group. A small molecule agonist of the c-mpl (TpoR) receptor (the physiological target of the hormone thrombopoietin), it has been developed as a medication for conditions that lead to thrombocytopenia (abnormally low platelet counts).
Last Modified	22 February 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C25H22N4O4
Net Charge	0
Average Mass	442.475
Monoisotopic Mass	442.16411
SMILES	CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O
InChI	InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22-
InChIKey	XDXWLKQMMKQXPV-QYQHSDTDSA-N

Wikipedia

Roles Classification

Chemical Role:

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

Biological Roles:

xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

thrombopoietin receptor agonist An agonist that selectively binds to and activates the thrombopoietin receptor [myeloproliferative leukemia protein or CD110 (Cluster of Differentiation 110)].

ChEBI Ontology

Outgoing Relation(s)
	eltrombopag (CHEBI:85010) has role thrombopoietin receptor agonist (CHEBI:85012)
	eltrombopag (CHEBI:85010) has role xenobiotic (CHEBI:35703)
	eltrombopag (CHEBI:85010) is a benzoic acids (CHEBI:22723)
	eltrombopag (CHEBI:85010) is a hydrazines (CHEBI:24631)
	eltrombopag (CHEBI:85010) is a pyrazoles (CHEBI:26410)

IUPAC Name
3'-{(2Z)-2-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2'-hydroxy[1,1'-biphenyl]-3-carboxylic acid

Synonym	Source
3'-{(2Z)-2-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxybiphenyl-3-carboxylic acid	IUPAC

Manual Xrefs	Databases
Eltrombopag	Wikipedia
4399	DrugCentral

Registry Numbers	Sources
CAS:496775-61-2	ChemIDplus

Citations