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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	CHEMBL3596483
Molecular formula	C27H25F3N2O
IUPAC name	4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight	450.505
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.6
Synonyms	SCHEMBL3597741 BDBM50106356 CKTOCNIMPWRZSV-UHFFFAOYSA-N 3'-(((4-Phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
Inchi Key	CKTOCNIMPWRZSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-8-6-20(17-31)7-9-22)18-33-19-26(10-12-32-13-11-26)24-4-2-1-3-5-24/h1-9,14-16,32H,10-13,18-19H2
PubChem CID	24785978
ChEMBL	CHEMBL3596483
IUPHAR	N/A
BindingDB	50106356
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
468357	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
468358	Substance-P receptor	Q5DUB1	TACR1	Meriones unguiculatus (Mongolian jird)	407
558647	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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