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