Compound: ICI-164384
SMILES: O=C(N(CCCC)C)CCCCCCCCCC[C@H]1[C@@H]2[C@@H](c3ccc(cc3C1)O)CC[C@]4([C@H]2CC[C@@H]4O)C
InChIKey: BVVFOLSZMQVDKV-KXQIQQEYSA-N
Synonyms: ICI-164384, Ici 164384, 98007-99-9, ICI 164,384, ICI M164384, N-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide, 84LT43726C, Estra-1,3,5(10)-triene-7-undecanamide, N-butyl-3,17-dihydroxy-N-methyl-, (7alpha,17beta)-, ICI 164 384, CHEBI:40710, N-n-Butyl-N-methyl-11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl]undecanamide, RefChem:789651, 11-((1S,3aS,3bR,4R,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-4-yl)-N-butyl-N-methylundecanamide, UNII-84LT43726C, ici164384, 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-methylundecanamide, CHEMBL1222035, N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE, N-butyl-11-[(7alpha,9beta,13alpha,14beta,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide, DTXSID3022376, BVVFOLSZMQVDKV-KXQIQQEYSA-N, BIDD:ER0703, SCHEMBL223177, orb1741284, SCHEMBL30715328, UNDECANAMIDE, N-BUTYL-11-((17.BETA.)-3,17-DIHYDROXYESTRA-1,3,5(10)-TRIEN-7-YL)-N-METHYL-, BDBM50471252, DB03860, ICI-164,384, AOE, NS00069569, Q27269536, (7alpha,17beta)-N-Butyl-3,17-dihydroxy-N-methylestra-1,3,5(10)-triene-7-undecanamide, N-butyl-11-[3,17beta-dihydroxyestra-1(10),2,4-trien-7alpha-yl]-N-methylundecanamide, N-Butyl-11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl]-N-methylundecanamide, N-n-butyl-11-(3,17beta-dihydroxyoestra-1,3,5(10)-trien-7alpha-yl)-N-methylundecanamide, N-n-butyl-N-methyl-11-(3,17beta-dihydroxyoestra-1,3,5(10)-trien-7alpha-yl)undecanamide, 11-(3,17beta-dihydroxy-estra-1,3,5(10)-triene-7alpha-yl)-undecanoic acid n-butyl-methyl-amide, N-BUTYL-11-((17.BETA.)-3,17-DIHYDROXYESTRA-1,3,5(10)-TRIEN-7-YL)-N-METHYLUNDECANAMIDE, N-butyl-11-[(7alpha,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide, 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
Theoretical properties:
molecular_formula: C34H55NO3
molecular_weight: 525.8 g/mol
exact_mass: 525.41819462 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 14
heavy_atom_count: 38
topological_polar_surface_area: 60.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: ICI-164384 is a 3-hydroxy steroid that is 17beta-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. It has a role as an antineoplastic agent, an anti-estrogen and an estrogen receptor antagonist. It is a tertiary carboxamide, a 17beta-hydroxy steroid and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol.
chebi: A 3-hydroxy steroid that is 17β-estradiol substituted by a 11-[butyl(methyl)amino]-11-oxoundecyl group at position 7<i>R</i>. It is a steroidal antioestrogen that inhibits the cell proliferation of breast-carcinoma cell lines.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: ICI-164384, also known as N-n-butyl-N-methyl-11-(3,17β-dihydroxyestra-1,3,5(10)-trien-7α-yl)undecanamide, is a steroidal antiestrogen and a synthetic derivative of estradiol which is closely related to fulvestrant and was never marketed. It is a silent antagonist of the estrogen receptor (ER) with no intrinsic estrogenic activity and hence is a pure antiestrogen, unlike selective estrogen receptor modulators (SERMs) like tamoxifen. The drug was under development by AstraZeneca for the treatment of breast cancer but was discontinued in favor of fulvestrant, which is very similar to ICI-164384 but is more potent in comparison.