TIM

(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol

Created:	2008-05-22
Last modified:	2021-03-01

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3 entries where TIM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	5

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Chemical Component Summary
Name	(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Synonyms	Timolol maleate
Systematic Name (OpenEye OEToolkits)	(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Formula	C₁₃ H₂₄ N₄ O₃ S
Molecular Weight	316.42
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(COc1nsnc1N2CCOCC2)CNC(C)(C)C
SMILES	CACTVS	3.341	CC(C)(C)NC[CH](O)COc1nsnc1N2CCOCC2
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)NCC(COc1c(nsn1)N2CCOCC2)O
Canonical SMILES	CACTVS	3.341	CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O
InChI	InChI	1.03	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
InChIKey	InChI	1.03	BLJRIMJGRPQVNF-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB00373
Name	Timolol
Groups	approved
Description	Timolol is a nonselective beta-adrenergic antagonist given in an eye drop solution to reduce intraocular pressure, or pressure in the eyes.[L6724] It is also used in tablet form as a drug to treat hypertension.[L6727] Timolol was first approved by the FDA in 1978.[L6724] This drug is marketed by several manufacturers [L6736] and is an effective agent for the management of conditions such as open-angle glaucoma and hypertension.
Synonyms	Timololo Timolol Timolol maleate Timolol anhydrous Timolol hemihydrate (S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol Timololum
Brand Names	BRIMONIDINE TARTRATE and TIMOLOL MALEATE Tim-Dor-Lat Xalacom Tim-Brim-Dor PF Dorzolamide-timolol PF Timpilo 4 Dorzolamide Hydrochloride-Timolol Maleate Van-dorzolamide-timolol Med Timolol Liq Oph 0.25% Dorzolamide Hydrochloride and Timolol Maleate Timolide Tab Timolol Maleate Ophthalmic Gel Forming Solution 0.5% Timolol Maleate Jamp Dorzolamide-timolol Riva-dorzolamide/timolol Apo-dorzo-timop Novo-timol Liq 0.25% Timolol hemihydrate Apo-brimonidine-timop Apo-latanoprost-timop Teva-latanoprost/timolol M-dorzolamide-timolol Dorzolamide Hydrochloride-Timolol Maleate Ophthalmic Solution Sterile Ophthalmic Solution Ag-dorzolamide Timolol Dorzolamide and Timolol Odan-timolol Beta-tim - 0.25% Liq Timolol Dorzolamide and Timolol Eye Drops BP DORZOLAMIDE HYDROCHLORIDE and TIMOLOL MALEATE Jamp-timolol Rhoxal-timolol 0.5% Sandoz Dorzolamide/timolol Tim-Brim-Dor-Lat Combigan PMS-dorzolamide-timolol Timpilo 2 Riva-latanoprost/timolol Dorzolamide Hydrochloride-timolol Maleate Timolol maleate Blocadren Tab 5mg Timolol Solution - 0.25% Timoptic PF Mint-dorzolamide/timolol Apo-travoprost-timop Pq Nu-timolol Tab 5mg Dom-timolol Sandoz Timolol Latanoprost and Timolol Ophthalmic Solution Timoptic Timolol Maleate Ophthalmic Gel Forming Solution 0.25% Brimonidine Tartrate/Timolol Maleate Ophthalmic Solution Jamp-latanoprost/timolol Cosopt Preservative-free Teva-dorzotimol Mylan-timolol M-latanoprost-timolol Tim-Lat -PF Blocadren Tab 10mg Ratio-timolol Maleate 0.25% Dorzolamide Hydrochloride and Timolol Maleate ophthalmic Solution Ganfort Betimol Dorzolamide HCl and Timolol Maleate Apo-timop Brimonidine tartrate and Timolol maleate Timoptic-XE Cosopt PF PMS-latanoprost-timolol Sandoz Brimonidine / Timolol Timolol Maleate Ophthalmic Gel Forming Solution, 0.5% Duokopt Act Dorzotimolol Med-latanoprost-timolol Dorzolamide Hydrochloride and Timolol Maleate Preservative Free Teva-timolol Mint-latanoprost/timolol Cosopt Tim-Dor PF T-LO Dorzolamide Hydrochloride and Timolol Maleate ophthalmic Duotrav Act Latanoprost/timolol Nu-timolol Tab 10mg Sandoz Travoprost / Timolol Pq Timolol-10 Tab 10mg Duotrav Pq Timolol-5 Tab 5mg Dorzolamide Hydrochloride Timolol Maletae Novo-timol Liq 0.5% Ratio-timolol Maleate 0.5% Timolol Maleate Ophthalmic Solution Brimonidine Tartrate/Timolol Maleate Dorzolamide-timolol Timolol Solution - 0.5% Blocadren Timolol Hemihydrate Timoptic in Ocudose Mylan-dorzolamide/timolol Timolol Maleate Ophthalmic Gel Forming Solution, 0.25% Beta-tim - 0.5% Liq Apo-travoprost-timolol Pq Jamp Brimonidine/timolol Sandoz Latanoprost/timolol Timolol-20 Tab 20mg Timolol Maleate Ophthalmic Gel Forming Solution Nu-timolol Tab 20mg Apo-timop Gel Timolol Maleate-EX Rhoxal-timolol 0.25% Azarga Med-dorzolamide-timolol Med Timolol Liq Oph 0.5% Priva-dorzolamide-timolol Dorzolamide Hydrochloride and Timolol Maleate Ophthalmic Solution Mylan-latanoprost/timolol Dorzolamide hydrochloride and timolol maleate PMS-timolol Dorzolamide HCl /Timolol Maleate Timolol GFS Istalol Dorzolamide Hydrochloride Timolol Maleate Brimonidine Tartrate and Timolol Maleate Blocadren Tab 20mg
Indication	Ophthalmic timolol is indicated for the treatment of increased intraocular pressure in patients with ocular hypertension or open-angle glaucoma. The oral form of this drug is used to treat high blood pressure.[L6724,L6727] In certain cases, timolol is used in the prevention of migraine headaches.[A179530,L6742]
Categories	Adrenergic Antagonists Adrenergic beta-Antagonists Agents causing hyperkalemia Alcohols Amines Amino Alcohols Antiarrhythmic agents Antiglaucoma Preparations and Miotics Antihypertensive Agents Beta Blocking Agents and Thiazides Beta Blocking Agents, Non-Selective Beta Blocking Agents, Non-Selective, and Thiazides Bradycardia-Causing Agents Cardiovascular Agents Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted EENT Drugs, Miscellaneous Hypotensive Agents Morpholines Ophthalmologicals Oxazines P-glycoprotein substrates Potential QTc-Prolonging Agents Propanolamines Propanols QTc Prolonging Agents Sulfur Compounds Thiadiazoles Thiazoles
ATC-Code	C07AA06 S01ED51 C07BA06 C07DA06 S01ED01
CAS number	26839-75-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-1 adrenergic receptor	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESP...	unknown	antagonist
Beta-2 adrenergic receptor	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFG...	unknown	antagonist
Endolysin	MNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...	unknown
Cytochrome P450 2C19	MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...	unknown	substrate
Cytochrome P450 2D6	MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVD...	unknown	substrate
ATP-dependent translocase ABCB1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	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