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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	CHEMBL461532
Molecular formula	C25H25ClN2O
IUPAC name	[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-chlorophenyl)methanone
Molecular weight	404.938
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.6
Synonyms	(4-chlorophenyl)((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl)methanone BDBM50246517 ZINC4663284 [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-chlorophenyl)methanone AC1OJ292
Inchi Key	ATZURZTXUAWVPY-BSDZUQITSA-N
Inchi ID	InChI=1S/C25H25ClN2O/c1-3-22-17(2)24(27-20-9-5-4-6-10-20)21-11-7-8-12-23(21)28(22)25(29)18-13-15-19(26)16-14-18/h4-17,22,24,27H,3H2,1-2H3/t17-,22-,24+/m1/s1
PubChem CID	7312981
ChEMBL	CHEMBL461532
IUPHAR	N/A
BindingDB	50246517
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
14457	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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