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