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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	SCHEMBL9999174
Molecular formula	C26H30F3N7O
IUPAC name	N-[1-[4-[3-(methylamino)pyridin-4-yl]cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight	513.569
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	3.9
Synonyms	CHEMBL3704091 SIMPHXXRRUXIKA-UHFFFAOYSA-N BDBM163447 N-(1-(4-(3-(methylamino)pyridin-4-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide US9062048, 74
Inchi Key	SIMPHXXRRUXIKA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H30F3N7O/c1-30-23-11-31-9-8-20(23)16-2-5-19(6-3-16)36-13-18(14-36)35-24(37)12-32-25-21-10-17(26(27,28)29)4-7-22(21)33-15-34-25/h4,7-11,15-16,18-19,30H,2-3,5-6,12-14H2,1H3,(H,35,37)(H,32,33,34)
PubChem CID	68004048
ChEMBL	CHEMBL3704091
IUPHAR	N/A
BindingDB	163447
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
461931	C-C chemokine receptor-like 2	O00421	CCRL2	Homo sapiens (Human)	344

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