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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	CHEMBL3704932
Molecular formula	C23H22F4N6O
IUPAC name	(5-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
Molecular weight	474.464
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM175107 SCHEMBL16078111 US9115117, 9
Inchi Key	AFOWXNVTENGQBP-KBXCAEBGSA-N
Inchi ID	InChI=1S/C23H22F4N6O/c1-13-11-19(32-22(30-13)23(25,26)27)31-18-5-3-10-33(14(18)2)21(34)17-12-15(24)6-7-16(17)20-28-8-4-9-29-20/h4,6-9,11-12,14,18H,3,5,10H2,1-2H3,(H,30,31,32)/t14-,18+/m0/s1
PubChem CID	90442577
ChEMBL	CHEMBL3704932
IUPHAR	N/A
BindingDB	175107
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
517342	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
463418	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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