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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	CHEMBL458200
Molecular formula	C29H36N4O2
IUPAC name	1-methyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]piperazin-2-one
Molecular weight	472.633
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.7
Synonyms	BDBM50413692 SCHEMBL5208879
Inchi Key	APIPZKSNAUJHEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H36N4O2/c1-22-9-10-26-27(30-22)7-4-8-28(26)35-18-17-32-13-11-23(12-14-32)19-24-5-3-6-25(20-24)33-16-15-31(2)29(34)21-33/h3-10,20,23H,11-19,21H2,1-2H3
PubChem CID	10238763
ChEMBL	CHEMBL458200
IUPHAR	N/A
BindingDB	50413692
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
11013	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
11012	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
11011	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377

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