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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	CHEMBL246598
Molecular formula	C28H33N3O3
IUPAC name	4-ethyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
Molecular weight	459.59
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.8
Synonyms	SCHEMBL5214738
Inchi Key	AVSPJTOPUUMEGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H33N3O3/c1-3-31-25-18-22(8-10-27(25)34-19-28(31)32)17-21-11-13-30(14-12-21)15-16-33-26-6-4-5-24-23(26)9-7-20(2)29-24/h4-10,18,21H,3,11-17,19H2,1-2H3
PubChem CID	22326688
ChEMBL	CHEMBL246598
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
15597	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
15599	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
15598	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377

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