elacestrant (CHEBI:229213)

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CHEBI:229213 - elacestrant

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ChEBI ID	CHEBI:229213
ChEBI Name	elacestrant
Stars
Definition	A member of the class of tetralins that is 1,2,3,4-tetrahydronaphthalene which is substituted by hydroxy group at position 2 and by a 2-(ethyl{4-[2-(ethylamino)ethyl]benzyl}amino)-4-methoxyphenyl group at position 6R. It is a is an estrogen receptor degrader indicated for the treatment of postmenopausal women or adult men, with ER-positive, HER2-negative, ESR1-mutated advanced or metastatic breast cancer with disease progression following at least one line of endocrine therapy.
Last Modified	16 April 2024
Submitter	Adnan
Downloads	Molfile

Formula	C30H38N2O2
Net Charge	0
Average Mass	458.646
Monoisotopic Mass	458.29333
SMILES	[H][C@@]1(c2ccc(OC)cc2N(CC)Cc2ccc(CCNCC)cc2)CCc2cc(O)ccc2C1
InChI	InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1
InChIKey	SIFNOOUKXBRGGB-AREMUKBSSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	estrogen receptor antagonist An antagonist at the estrogen receptor.
Applications:	anti-estrogen A drug which acts to reduce estrogenic activity in the body, either by reducing the amount of estrogen or by reducing the activity of whatever estrogen is present. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. estrogen receptor antagonist An antagonist at the estrogen receptor.

ChEBI Ontology

Outgoing Relation(s)
	elacestrant (CHEBI:229213) has role anti-estrogen (CHEBI:50751)
	elacestrant (CHEBI:229213) has role antineoplastic agent (CHEBI:35610)
	elacestrant (CHEBI:229213) has role estrogen receptor antagonist (CHEBI:50792)
	elacestrant (CHEBI:229213) is a monomethoxybenzene (CHEBI:25235)
	elacestrant (CHEBI:229213) is a organic hydroxy compound (CHEBI:33822)
	elacestrant (CHEBI:229213) is a secondary amino compound (CHEBI:50995)
	elacestrant (CHEBI:229213) is a substituted aniline (CHEBI:48975)
	elacestrant (CHEBI:229213) is a tertiary amino compound (CHEBI:50996)
	elacestrant (CHEBI:229213) is a tetralins (CHEBI:36786)

IUPAC Name
(6R)-6-[2-(ethyl{4-[2-(ethylamino)ethyl]benzyl}amino)-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

INNs	Source
élacestrant	WHO MedNet
elacestrantum	WHO MedNet
elacestrant	WHO MedNet
elacestrant	WHO MedNet

Synonyms	Source
RAD-1901	DrugBank
RAD1901	DrugBank
ER-306323	DrugBank
RAD 1901	ChEBI
(R)-6-(2-(ethyl(4-(2-(ethylamino)ethyl)benzyl)amino)-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol	ChEBI

Brand Name	Source
Orserdu	DrugBank

Manual Xrefs	Databases
DB06374	DrugBank
D11671	KEGG DRUG
Elacestrant	Wikipedia
I0V	PDBeChem

Registry Numbers	Sources
CAS:722533-56-4	KEGG DRUG

Citations