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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	CHEMBL181379
Molecular formula	C29H33Cl2N3O2
IUPAC name	[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-ethoxypiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
Molecular weight	526.502
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.1
Synonyms	[(3S,4S)-4-(3,4-Dichloro-benzyl)-3-ethoxy-[1,4'''']bipiperidinyl-1''''-yl]-quinolin-6-yl-methanone BDBM50161422 SCHEMBL18840716
Inchi Key	BCTREWRHSJQVCU-SKCUWOTOSA-N
Inchi ID	InChI=1S/C29H33Cl2N3O2/c1-2-36-28-19-34(13-9-22(28)16-20-5-7-25(30)26(31)17-20)24-10-14-33(15-11-24)29(35)23-6-8-27-21(18-23)4-3-12-32-27/h3-8,12,17-18,22,24,28H,2,9-11,13-16,19H2,1H3/t22-,28-/m1/s1
PubChem CID	44389738
ChEMBL	CHEMBL181379
IUPHAR	N/A
BindingDB	50161422
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
20524	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355

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