CHEBI:229213 - elacestrant

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ChEBI Name elacestrant
ChEBI ID CHEBI:229213
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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H38N2O2
Net Charge 0
Average Mass 458.646
Monoisotopic Mass 458.29333
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
SMILES [H][C@]1(CCC2=C(C1)C=CC(O)=C2)C1=C(C=C(OC)C=C1)N(CC)CC1=CC=C(CCNCC)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): estrogen receptor antagonist
An antagonist at the estrogen receptor.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
estrogen receptor antagonist
An antagonist at the estrogen receptor.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
elacestrant WHO MedNet
elacestrant WHO MedNet
élacestrant WHO MedNet
elacestrantum WHO MedNet
Synonyms Sources
(R)-6-(2-(ethyl(4-(2-(ethylamino)ethyl)benzyl)amino)-4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol ChEBI
ER-306323 DrugBank
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
View more database links
Registry Number Type Source
722533-56-4 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
16 April 2024