OHT

4-HYDROXYTAMOXIFEN

Created:	1999-07-08
Last modified:	2011-06-04

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15 entries where OHT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	18

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Chemical Component Summary
Name	4-HYDROXYTAMOXIFEN
Systematic Name (OpenEye OEToolkits)	4-[(Z)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenyl-but-1-enyl]phenol
Formula	C₂₆ H₂₉ N O₂
Molecular Weight	387.514
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(\c3ccccc3)CC)CCN(C)C
SMILES	CACTVS	3.341	CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCN(C)C)cc3
SMILES	OpenEye OEToolkits	1.5.0	CCC(=C(c1ccc(cc1)O)c2ccc(cc2)OCCN(C)C)c3ccccc3
Canonical SMILES	CACTVS	3.341	CC\C(c1ccccc1)=C(/c2ccc(O)cc2)c3ccc(OCCN(C)C)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
InChI	InChI	1.03	InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKey	InChI	1.03	TXUZVZSFRXZGTL-QPLCGJKRSA-N

Drug Info: DrugBank

DrugBank ID	DB04468
Name	Afimoxifene
Groups	investigational
Description	Afimoxifene (4-Hydroxytamoxifen, trade name TamoGel) is a new estrogen inhibitor under investigation for a variety of estrogen-dependent conditions, including cyclic breast pain and gynecomastia. TamoGel is formulated using Enhanced Hydroalcoholic Gel (EHG) Technology. This technology enables percutaneous delivery of drugs that cannot be delivered orally. It is being developed by Ascent Therapeutics.
Synonyms	4-OHT 4-hydroxytamoxifen Afimoxifene 4-monohydroxytamoxifen
Indication	For the potential treatment of menstrual-cycle related mastalgia, fibrocystic breast disease, breast disease, gynecomastia and Keloid scarring.
Categories	Androstanes Androstenes Androstenols Antineoplastic Agents Benzene Derivatives Benzylidene Compounds Estrogen Antagonists Estrogen Receptor Modulators Fused-Ring Compounds Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Receptors, Estrogen, agonists Selective Estrogen Receptor Modulators Steroids Stilbenes
CAS number	68392-35-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Trefoil factor 1	MATMENKVICALVLVSMLALGTLAEAQTETCTVAPRERQNCGFPGVTPSQ...	unknown
Steroid hormone receptor ERR1	MSSQVVGIEPLYIKAEPASPDSPKGSSETETEPPVALAPGPAPTRCLPGH...	unknown	inhibitor
Nuclear receptor subfamily 1 group I member 2	MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...	unknown
Sex hormone-binding globulin	MESRGPLATSRLLLLLLLLLLRHTRQGWALRPVLPTQSAHDPPAVHLSNG...	unknown
Estrogen receptor alpha	MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPA...	unknown
Estrogen receptor beta	MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYS...	unknown
Estrogen-related receptor gamma	MDSVELCLPESFSLHYEEELLCRMSNKDRHIDSSCSSFIKTEPSSPASLT...	unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682