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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	CHEMBL3741516
Molecular formula	C27H30FN3O2
IUPAC name	(E)-1-[4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
Molecular weight	447.554
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.7
Synonyms	(4'-(6-Fluoro-1,2-benzoisoxazole-3-yl)-[4,1'-methylenebis(piperidine)]-1-yl)styryl ketone J3.517.042A
Inchi Key	ACVKASDZKIGIQP-RMKNXTFCSA-N
Inchi ID	InChI=1S/C27H30FN3O2/c28-23-7-8-24-25(18-23)33-29-27(24)22-12-14-30(15-13-22)19-21-10-16-31(17-11-21)26(32)9-6-20-4-2-1-3-5-20/h1-9,18,21-22H,10-17,19H2/b9-6+
PubChem CID	127042413
ChEMBL	CHEMBL3741516
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
521503	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
521504	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
521502	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444

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