C41

ALISKIREN

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	ALISKIREN
Identifiers	(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxo-propyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-yl-nonanamide
Formula	C₃₀ H₅₃ N₃ O₆
Molecular Weight	551.758
Type	NON-POLYMER
Isomeric SMILES	CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
InChI	InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
InChIKey	UXOWGYHJODZGMF-QORCZRPOSA-N

Chemical Details
Formal Charge	0
Atom Count	92
Chiral Atom Count	4
Bond Count	92
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB09026
Name	Aliskiren
Groups	approved investigational
Description	Aliskiren is the first drug in the renin inhibitor drug class and is used for the treatment of hypertension.[A203624] It was developed by Speedel and Novartis and initially approved by the FDA in early 2007.[L14018] Aliskiren has been proven to efficacious in reducing blood pressure when used alone or in conjunction with other antihypertensive agents.[A203624]
Synonyms	Aliskireno Aliskiren Aliskiren hemifumarate
Brand Names	Tekamlo Valturna Sandoz Aliskiren Aliskiren Amturnide Rasilez HCT Tekturna Tekturna HCT Rasilez
Indication	Aliskiren is used for the treatment of hypertension in children above 6 years and adults.[L13994] This drug may also be used in conjunction with antihypertensives such as calcium channel blockers and thiazides in products form to provide additional blood pressure control.[L14168,L14171]
Categories	Acids, Acyclic Agents Acting on the Renin-Angiotensin System Agents causing hyperkalemia Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Benzene Derivatives Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dicarboxylic Acids Enzyme Inhibitors Ethers Hypotensive Agents Methyl Ethers P-glycoprotein substrates Protease Inhibitors Renin Inhibitors
ATC-Code	C09XA54 C09XA53 C09DX02 C09XA02 C09XA52
CAS number	173334-57-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Renin	MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERG...	unknown	inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
P-glycoprotein 1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	unknown	substrate

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