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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	CHEMBL3905361
Molecular formula	C20H21F3N8O
IUPAC name	[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
Molecular weight	446.438
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	2.8
Synonyms	SCHEMBL16032702 BDBM60573
Inchi Key	AXADKMWRPJJTBF-UONOGXRCSA-N
Inchi ID	InChI=1S/C20H21F3N8O/c1-12-8-15(31-27-5-6-28-31)18(26-9-12)19(32)30-7-3-4-14(13(30)2)29-17-11-24-16(10-25-17)20(21,22)23/h5-6,8-11,13-14H,3-4,7H2,1-2H3,(H,25,29)/t13-,14+/m0/s1
PubChem CID	86271773
ChEMBL	CHEMBL3905361
IUPHAR	N/A
BindingDB	60573
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
536406	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
536407	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
536405	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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