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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	Ablukast
Molecular formula	C28H34O8
IUPAC name	6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
Molecular weight	498.572
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.5
Synonyms	131147-29-0 6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-chroman-2-carboxylic acid Ablukastum [INN-Latin] D09DIG 32257-EP2301933A1 96566-25-5 AKOS000278590 Ro-23-3544 Ablukast [USAN:INN] CHEMBL22016 2H-1-Benzopyran-2-carboxylic acid, 6-acetyl-7-((5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl)oxy)-3,4-dihydro-, (+-)- 6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-pentyloxy]-chroman-2-carboxylic acid(Ro 23-3544) AC1L1MCA Ro 23-3544 32257-EP2305640A2 BDBM50009071 Ro-233544000 (+-)-6-Acetyl-7-((5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl)oxy)-2-chromancarboxylic acid 6-Acetyl-7-(5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyloxy)-3,4-dihydro-2H-1-be nzopyran-2-carboxylic acid Ablukastum D02739 32257-EP2281815A1 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid AC1Q5GQ8 Ro 23-3544/000 32257-EP2311827A1 Ablukast (USAN/INN) SCHEMBL37501 [ Show all ]
Inchi Key	FGGYJWZYDAROFF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)
PubChem CID	57109
ChEMBL	CHEMBL22016
IUPHAR	N/A
BindingDB	50009071
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
77764	Cysteinyl leukotriene receptor 1	Q2NNR5	CYSLTR1	Cavia porcellus (Guinea pig)	340
77765	Cysteinyl leukotriene receptor 1	Q9Y271	CYSLTR1	Homo sapiens (Human)	337

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