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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	SCHEMBL6837152
Molecular formula	C29H29Cl2F3N4O2
IUPAC name	[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone
Molecular weight	593.472
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	6.5
Synonyms	BDBM100783 US8507535, 22 CHEMBL3648216
Inchi Key	AXZRKMLGUZQSDI-UFHPHHKVSA-N
Inchi ID	InChI=1S/C29H29Cl2F3N4O2/c1-28(18-40-26-9-7-23(31)15-36-26)17-38(16-24(28)19-2-5-22(30)6-3-19)27(39)20-10-12-37(13-11-20)25-8-4-21(14-35-25)29(32,33)34/h2-9,14-15,20,24H,10-13,16-18H2,1H3/t24-,28-/m1/s1
PubChem CID	56592115
ChEMBL	CHEMBL3648216
IUPHAR	N/A
BindingDB	100783
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
17256	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465

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