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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	1-(ethylsulfonyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide
Molecular formula	C21H33FN4O3S
IUPAC name	1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
Molecular weight	440.578
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	CHEMBL1741473 MolPort-007-935-952 HMS2473K08 AB00405859-09 BRD-K56887980-001-01-0 MLS000096290 ChemDiv3_013652 SMR000032239 IDI1_029802 AC1MMIKT MLS001389296 HMS1511M12 ZINC4057184 1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide MCULE-4014727138 AKOS002124768 [ Show all ]
Inchi Key	HELQBULJEYEPSM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H33FN4O3S/c1-2-30(28,29)26-12-8-18(9-13-26)21(27)23-10-5-11-24-14-16-25(17-15-24)20-7-4-3-6-19(20)22/h3-4,6-7,18H,2,5,8-17H2,1H3,(H,23,27)
PubChem CID	3239323
ChEMBL	CHEMBL1741473
IUPHAR	N/A
BindingDB	N/A
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
112886	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
476812	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
112885	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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