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 data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

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	(S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol Timololo Timolol maleate Timolol hemihydrate Timolol anhydrous Timololum Timolol
Brand Names	Jamp Brimonidine/timolol Dorzolamide Hydrochloride-Timolol Maleate Med-latanoprost-timolol Timoptic in Ocudose Odan-timolol PMS-dorzolamide-timolol Timolol Maleate Ophthalmic Solution M-dorzolamide-timolol Ratio-timolol Maleate 0.25% Timolol Maleate Ophthalmic Gel Forming Solution, 0.5% Timolol GFS Apo-timop Gel T-LO Teva-latanoprost/timolol Dorzolamide Hydrochloride and Timolol Maleate Nu-timolol Tab 20mg Sandoz Dorzolamide/timolol Timolol-5 Tab 5mg Mylan-dorzolamide/timolol Tim-Brim-Dor-Lat Brimonidine Tartrate and Timolol Maleate Ag-dorzolamide Timolol Latanoprost and Timolol Ophthalmic Solution Sandoz Timolol Timolol-10 Tab 10mg Beta-tim - 0.5% Liq Apo-brimonidine-timop Betimol Tim-Lat -PF Dorzolamide HCl /Timolol Maleate Jamp Dorzolamide-timolol Dorzolamide Hydrochloride-timolol Maleate Dorzolamide Hydrochloride Timolol Maletae Dorzolamide and Timolol Eye Drops BP Timolol Maleate Ophthalmic Gel Forming Solution 0.5% Brimonidine Tartrate/Timolol Maleate Ophthalmic Solution Nu-timolol Tab 5mg Dorzolamide Hydrochloride and Timolol Maleate Preservative Free Beta-tim - 0.25% Liq Timolol-20 Tab 20mg Apo-travoprost-timolol Pq Mylan-timolol Dorzolamide and Timolol Blocadren Tab 5mg Timolol Maleate Duotrav Apo-latanoprost-timop Timolol Maleate Ophthalmic Gel Forming Solution Brimonidine tartrate and Timolol maleate Cosopt Xalacom Priva-dorzolamide-timolol Timoptic-XE Mint-latanoprost/timolol Jamp-timolol Tim-Dor PF Sandoz Travoprost / Timolol Pq Act Latanoprost/timolol Tim-Dor-Lat Dorzolamide HCl and Timolol Maleate DORZOLAMIDE HYDROCHLORIDE and TIMOLOL MALEATE Dorzolamide Hydrochloride and Timolol Maleate ophthalmic Solution Duotrav Pq Sandoz Brimonidine / Timolol Teva-timolol Riva-dorzolamide/timolol Van-dorzolamide-timolol Cosopt PF Timolol Maleate Ophthalmic Gel Forming Solution, 0.25% Jamp-latanoprost/timolol Dom-timolol M-latanoprost-timolol Timoptic PF Timolol maleate BRIMONIDINE TARTRATE and TIMOLOL MALEATE Dorzolamide Hydrochloride Timolol Maleate Med-dorzolamide-timolol Timolide Tab Brimonidine Tartrate/Timolol Maleate PMS-timolol Dorzolamide hydrochloride and timolol maleate Dorzolamide-timolol PF Tim-Brim-Dor PF Dorzolamide Hydrochloride-Timolol Maleate Ophthalmic Solution Sterile Ophthalmic Solution Dorzolamide Hydrochloride and Timolol Maleate ophthalmic Timolol Solution - 0.25% Cosopt Preservative-free Mylan-latanoprost/timolol Apo-timop Apo-travoprost-timop Pq Duokopt Blocadren Tab 10mg Riva-latanoprost/timolol Timolol Novo-timol Liq 0.5% Azarga PMS-latanoprost-timolol Timolol hemihydrate Sandoz Latanoprost/timolol Ganfort Act Dorzotimolol Ratio-timolol Maleate 0.5% Rhoxal-timolol 0.5% Dorzolamide-timolol Timolol Maleate Ophthalmic Gel Forming Solution 0.25% Timolol Solution - 0.5% Dorzolamide Hydrochloride and Timolol Maleate Ophthalmic Solution Novo-timol Liq 0.25% Combigan Rhoxal-timolol 0.25% Nu-timolol Tab 10mg Med Timolol Liq Oph 0.25% Timoptic Timpilo 2 Blocadren Tab 20mg Blocadren Apo-dorzo-timop Med Timolol Liq Oph 0.5% Timpilo 4 Teva-dorzotimol Istalol Mint-dorzolamide/timolol Timolol Hemihydrate Timolol Maleate-EX
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

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

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