MYT

METYRAPONE

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

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5 entries where MYT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

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Chemical Component Summary
Name	METYRAPONE
Systematic Name (OpenEye OEToolkits)	2-methyl-1,2-dipyridin-3-yl-propan-1-one
Formula	C₁₄ H₁₄ N₂ O
Molecular Weight	226.274
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cccnc1)C(c2cccnc2)(C)C
SMILES	CACTVS	3.341	CC(C)(c1cccnc1)C(=O)c2cccnc2
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(c1cccnc1)C(=O)c2cccnc2
Canonical SMILES	CACTVS	3.341	CC(C)(c1cccnc1)C(=O)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(c1cccnc1)C(=O)c2cccnc2
InChI	InChI	1.03	InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChIKey	InChI	1.03	FJLBFSROUSIWMA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01011
Name	Metyrapone
Groups	approved investigational
Description	An inhibitor of the enzyme steroid 11-beta-monooxygenase. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of cushing syndrome.
Synonyms	Metyraponum Métyrapone Metyrapone Metirapona
Brand Names	Metopirone
Indication	Used as a diagnostic drug for testing hypothalamic-pituitary ACTH function. Occasionally used in Cushing's syndrome.
Categories	Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Diagnostic Agents Drugs that are Mainly Renally Excreted Enzyme Inhibitors Noxae Pyridines Steroid Synthesis Inhibitors Tests for Pituitary Function Toxic Actions
ATC-Code	V04CD01
CAS number	54-36-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 11B1, mitochondrial	MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWL...	unknown	inhibitor
Camphor 5-monooxygenase	MTTETIQSNANLAPLPPHVPEHLVFDFDMYNPSNLSAGVQEAWAVLQESN...	unknown	other/unknown
Cytochrome P450 11B1, mitochondrial	MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWL...	unknown	inhibitor
Cytochrome P450 2E1	MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...	unknown	inhibitor
Cytochrome P450 11B2, mitochondrial	MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWL...	unknown	inhibitor
Cytochrome P450 2A6	MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLN...	unknown	inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	inhibitor,inducer
Canalicular multispecific organic anion transporter 2	MDALCGSGELGSKFWDSNLSVHTENPDLTPCFQNSLLAWVPCIYLWVALP...	unknown	inducer
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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