HFT

HYDROXYFLUTAMIDE

Created:	2005-09-06
Last modified:	2020-06-05

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8 entries where HFT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

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Chemical Component Summary
Name	HYDROXYFLUTAMIDE
Synonyms	2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE; HYDROXYNIPHTHOLIDE
Systematic Name (OpenEye OEToolkits)	2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Formula	C₁₁ H₁₁ F₃ N₂ O₄
Molecular Weight	292.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C
SMILES	CACTVS	3.341	CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O
Canonical SMILES	CACTVS	3.341	CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O
InChI	InChI	1.03	InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
InChIKey	InChI	1.03	YPQLFJODEKMJEF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00499
Name	Flutamide
Groups	approved investigational
Description	An antiandrogen with about the same potency as cyproterone in rodent and canine species.
Synonyms	Niftolide α,α,α-trifluoro-2-methyl-4'-nitro-m-propionotoluidide Flutamida Niftolid Flutamidum Flutamide Flutamid 4'-nitro-3'-trifluoromethylisobutyranilide FTA NFBA
Brand Names	Teva-flutamide Dom-flutamide Nu-flutamide Tablets PMS-flutamide Flutamide Penta-flutamide Euflex Eulexin Flutamide-250
Indication	For the management of locally confined Stage B2-C and Stage D2 metastatic carcinoma of the prostate
Categories	Amides Amines Androgen Receptor Antagonists Androgen Receptor Inhibitors Anilides Aniline Compounds Antiandrogens Antiandrogens, non-steroidal Antineoplastic Agents Antineoplastic Agents, Hormonal Antineoplastic and Immunomodulating Agents Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Endocrine Therapy Hormone Antagonists Hormone Antagonists and Related Agents Hormones, Hormone Substitutes, and Hormone Antagonists Methemoglobinemia Associated Agents
ATC-Code	L02BB01
CAS number	13311-84-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Androgen receptor	MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...	unknown	antagonist
Aryl hydrocarbon receptor	MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRL...	unknown	agonist
Nuclear receptor subfamily 1 group I member 2	MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...	unknown
Cytochrome P450 1A1	MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...	unknown	substrate
Cytochrome P450 1B1	MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSA...	unknown	substrate
Cytochrome P450 3A5	MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNV...	unknown	substrate
Cytochrome P450 1A2	MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...	unknown	substrate
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Multidrug resistance-associated protein 1	MALRGFCSADGSDPLWDWNVTWNTSNPDFTKCFQNTVLVWVPCFYLWACF...	unknown	substrate
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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