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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	CHEMBL3596494
Molecular formula	C30H31F3N2O
IUPAC name	4-[3-[(4-phenyl-1-propan-2-ylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight	492.586
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.9
Synonyms	SCHEMBL3597002 BDBM50106367
Inchi Key	IMGUYNHHTVEEHW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H31F3N2O/c1-22(2)35-14-12-29(13-15-35,27-6-4-3-5-7-27)21-36-20-24-16-26(18-28(17-24)30(31,32)33)25-10-8-23(19-34)9-11-25/h3-11,16-18,22H,12-15,20-21H2,1-2H3
PubChem CID	58993465
ChEMBL	CHEMBL3596494
IUPHAR	N/A
BindingDB	50106367
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
479751	Substance-P receptor	Q5DUB1	TACR1	Meriones unguiculatus (Mongolian jird)	407
561543	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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