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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	montelukast
Molecular formula	C35H36ClNO3S
IUPAC name	2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Molecular weight	586.187
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	7.7
Synonyms	AB01275454-01 BDBM50052024 CCG-221186 D00QET HSDB 7582 Montelukast (INN) 1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid SCHEMBL4487 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid UCHDWCPVSPXUMX-TZIWLTJVSA-N 5306-EP2281815A1 5306-EP2298415A1 Aerokast Brondilat DB00471 MK 0476 NCGC00188977-01 142522-28-9 Singular 522M289 {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid 5306-EP2287154A1 5306-EP2305659A1 5306-EP2311827A1 Apxi toxin C35H36ClNO3S Cyclopropaneacetic acid, 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, (R-(E))- HMS2089D07 Montair (R,E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid SC-80452 2-[1-({[(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetic acid SR-01000763441-3 5306-EP2280006A1 5306-EP2292619A1 AC1NQXXW BIDD:GT0394 CHEBI:50730 D08229 LS-173539 Montelukast [INN:BAN] 1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acid Singulair UNII-MHM278SD3E 5306-EP2281819A1 5306-EP2301933A1 AKOS025310659 Brondilat (TN) CHEMBL787 DTXSID9023334 MK-0476 r-(e)-1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid 151767-02-1 (sodium) sodium 1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropylacetate 5306-EP2270008A1 {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid 5306-EP2288595A2 5306-EP2308562A2 5306-EP2314590A1 BCP28542 cc-91 Cyclopropaneaceticacid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]- HMS3715N13 (R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid SCHEMBL4486 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid SR-01000763441-5 5306-EP2281813A1 5306-EP2295409A1 ACT04773 BRD-K99673372-001-01-9 CHEBI:94710 MHM278SD3E Montelukastum 1-[[[(R)-3-[2-(1-Hydroxy-1-methylethyl)phenyl]-1-[3-[2-(7-chloroquinoline-2-yl)ethenyl]phenyl]propyl]thio]methyl]cyclopropane-1-acetic acid Singulair (TN) ZINC3831151 5306-EP2284166A1 5306-EP2305640A2 AN-31084 C07482 Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)- GTPL3340 MolPort-006-167-557 SB19081 158966-92-8 SR-01000763441 5306-EP2276739A1 5306-EP2292617A1 5306-EP2311818A1 [ Show all ]
Inchi Key	UCHDWCPVSPXUMX-TZIWLTJVSA-N
Inchi ID	InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
PubChem CID	5281040
ChEMBL	CHEMBL787
IUPHAR	3340
BindingDB	50052024
DrugBank	DB00471
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
333312	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
454936	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
333307	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
333311	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
333310	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
333306	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
333300	Cysteinyl leukotriene receptor 1	Q9Y271	CYSLTR1	Homo sapiens (Human)	337
333303	Cysteinyl leukotriene receptor 1	Q2NNR5	CYSLTR1	Cavia porcellus (Guinea pig)	340
504111	Cysteinyl leukotriene receptor 2	Q9NS75	CYSLTR2	Homo sapiens (Human)	346
333302	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
333313	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
333309	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
333304	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
333308	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
333305	Uracil nucleotide/cysteinyl leukotriene receptor	Q13304	GPR17	Homo sapiens (Human)	367
554930	Uracil nucleotide/cysteinyl leukotriene receptor	Q6NS65	Gpr17	Mus musculus (Mouse)	339

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