TMI

1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE

Created:	2005-10-27
Last modified:	2020-06-05

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1 entries where TMI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	24

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Chemical Component Summary
Name	1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE
Synonyms	BIFONAZOLE
Systematic Name (OpenEye OEToolkits)	1-[(S)-phenyl-(4-phenylphenyl)methyl]imidazole
Formula	C₂₂ H₁₈ N₂
Molecular Weight	310.392
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4
SMILES	CACTVS	3.341	c1ccc(cc1)[CH](n2ccnc2)c3ccc(cc3)c4ccccc4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2ccc(cc2)C(c3ccccc3)n4ccnc4
Canonical SMILES	CACTVS	3.341	c1ccc(cc1)[C@H](n2ccnc2)c3ccc(cc3)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4
InChI	InChI	1.03	InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1
InChIKey	InChI	1.03	OCAPBUJLXMYKEJ-QFIPXVFZSA-N

Drug Info: DrugBank

DrugBank ID	DB04794
Name	Bifonazole
Groups	approved investigational
Description	Bifonazole is an azole antifungal drug.
Synonyms	Bifonazol Bifonazolum 1-((4-Biphenylyl)phenylmethyl)-1H-imidazole (+-)-1-(p,alpha-Diphenylbenzyl)imidazole 1-(p,alpha-Diphenylbenzyl)imidazole Bifonazole 1-[biphenyl-4-yl(phenyl)methyl]imidazole 1-(alpha-(4-Biphenylyl)benzyl)imidazole
Indication	Used for the treatment of various topical fungal infections, including athlete's foot (tinea pedis).
Categories	Anti-Infective Agents Antifungal Agents Antifungals for Dermatological Use Antifungals for Topical Use Azole Antifungals Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Dermatologicals Imidazole and Triazole Derivatives
ATC-Code	D01AC10 D01AC60
CAS number	60628-96-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 51	MAIVETVIDGINYFLSLSVTQQISILLGVPFVYNLVWQYLYSLRKDRAPL...	unknown	inhibitor
Cytochrome P450 2B6	MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRG...	unknown
Cytochrome P450 19A1	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...	unknown	inhibitor
Cytochrome P450 2E1	MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...	unknown	inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	inhibitor

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