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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	CHEMBL2419495
Molecular formula	C23H24F2N4O5S
IUPAC name	ethyl 5-cyano-6-[4-[(2,4-difluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate
Molecular weight	506.525
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	2.7
Synonyms	BDBM50439272 Ethyl 5-cyano-6-(4-{[(2,4-difluorobenzyl)sulfonyl]carbamoyl}piperidin-1-yl)-2-methylnicotinate SCHEMBL4736338 AHQASDPCJPXGHL-UHFFFAOYSA-N 2-Methyl-5-cyano-6-[4-[(2,4-difluorobenzylsulfonyl)carbamoyl]piperidino]nicotinic acid ethyl ester
Inchi Key	AHQASDPCJPXGHL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24F2N4O5S/c1-3-34-23(31)19-10-17(12-26)21(27-14(19)2)29-8-6-15(7-9-29)22(30)28-35(32,33)13-16-4-5-18(24)11-20(16)25/h4-5,10-11,15H,3,6-9,13H2,1-2H3,(H,28,30)
PubChem CID	24968874
ChEMBL	CHEMBL2419495
IUPHAR	N/A
BindingDB	50439272
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
5797	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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