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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	CHEMBL495531
Molecular formula	C23H23BrF2N2O2
IUPAC name	3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)piperidine-2,6-dione
Molecular weight	477.35
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	(+/-)-1''-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4''-bipiperidine-2,6-dione BDBM50292637 SCHEMBL13963016 (-)-1''-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4''-bipiperidine-2,6-dione (+)-1''-(4-bromobenzyl)-3-(2,4-difluorophenyl)-3,4''-bipiperidine-2,6-dione
Inchi Key	BJFMBQBPMWUGFF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23BrF2N2O2/c24-17-3-1-15(2-4-17)14-28-11-8-16(9-12-28)23(10-7-21(29)27-22(23)30)19-6-5-18(25)13-20(19)26/h1-6,13,16H,7-12,14H2,(H,27,29,30)
PubChem CID	44593651
ChEMBL	CHEMBL495531
IUPHAR	N/A
BindingDB	50292637
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
25036	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
25035	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
25037	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
25038	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590

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