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. estrogen receptor antagonist An antagonist at the estrogen receptor. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

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
elacestrant	WHO MedNet
elacestrant	WHO MedNet
élacestrant	WHO MedNet
elacestrantum	WHO MedNet

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

Brand Name	Source
Orserdu	DrugBank

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

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

Citations