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

Name	Target Sequence	Pharmacological Action	Actions
Beta-1 adrenergic receptor	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESP...	unknown	antagonist
Beta-2 adrenergic receptor	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFG...	unknown	antagonist
Lysozyme	MNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...	unknown
Cytochrome P450 2C19	MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...	unknown	substrate
Cytochrome P450 2D6	MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVD...	unknown	substrate
P-glycoprotein 1	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