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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	CHEMBL3596492
Molecular formula	C28H27F3N2O
IUPAC name	4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight	464.532
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.1
Synonyms	AGAVJQRYUXAJGE-UHFFFAOYSA-N 3'-(((1-Methyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile BDBM50106365 SCHEMBL3599901
Inchi Key	AGAVJQRYUXAJGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H27F3N2O/c1-33-13-11-27(12-14-33,25-5-3-2-4-6-25)20-34-19-22-15-24(17-26(16-22)28(29,30)31)23-9-7-21(18-32)8-10-23/h2-10,15-17H,11-14,19-20H2,1H3
PubChem CID	24785717
ChEMBL	CHEMBL3596492
IUPHAR	N/A
BindingDB	50106365
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
463457	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
463458	Substance-P receptor	Q5DUB1	TACR1	Meriones unguiculatus (Mongolian jird)	407
557413	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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