CHEBI:40710 - ICI-164384

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ChEBI Name ICI-164384
ChEBI ID CHEBI:40710
Definition A 3-hydroxy steroid that is 17β-estradiol substituted by a 11-[butyl(methyl)amino]-11-oxoundecyl group at position 7R. It is a steroidal antioestrogen that inhibits the cell proliferation of breast-carcinoma cell lines.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34796
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Formula C34H55NO3
Net Charge 0
Average Mass 525.818
Monoisotopic Mass 525.41819
InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1
InChIKey BVVFOLSZMQVDKV-KXQIQQEYSA-N
SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H]
Roles Classification
Biological Role(s): estrogen receptor antagonist
An antagonist at the estrogen receptor.
Application(s): 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.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ICI-164384 (CHEBI:40710) has functional parent 17β-estradiol (CHEBI:16469)
ICI-164384 (CHEBI:40710) has role anti-estrogen (CHEBI:50751)
ICI-164384 (CHEBI:40710) has role antineoplastic agent (CHEBI:35610)
ICI-164384 (CHEBI:40710) has role estrogen receptor antagonist (CHEBI:50792)
ICI-164384 (CHEBI:40710) is a 17β-hydroxy steroid (CHEBI:35343)
ICI-164384 (CHEBI:40710) is a 3-hydroxy steroid (CHEBI:36834)
ICI-164384 (CHEBI:40710) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name
N-butyl-11-[3,17β-dihydroxyestra-1(10),2,4-trien-7α-yl]-N-methylundecanamide
Synonyms Sources
ICI 164,384 ChemIDplus
ICI 164384 ChemIDplus
ICI M164384 ChemIDplus
ICI-164,384 ChEBI
ICI164384 ChEBI
N-butyl-11-[(7α,9β,13α,14β,17α)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide PDBeChem
N-butyl-11-[(7R,8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-N-methyl-undecanamide PDBeChem
N-n-butyl-N-methyl-11-(3,17β-dihydroxyestra-1,3,5(10)-trien-7α-yl)undecanamide ChEBI
N-n-butyl-N-methyl-11-[3,17β-dihydroxyestra-1,3,5(10)-trien-7α-yl]undecanamide KEGG COMPOUND
Manual Xrefs Databases
94580 ChemSpider
AOE PDBeChem
C14758 KEGG COMPOUND
DB03860 DrugBank
ICI-164384 Wikipedia
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Registry Number Type Source
98007-99-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
16 August 2021