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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	CHEMBL3936958
Molecular formula	C20H22F3N3O3S
IUPAC name	5-cyclopropyl-6-(2-methylpropylsulfonyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]pyridine-2-carboxamide
Molecular weight	441.469
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.8
Synonyms	ABNXKNCXFQSSMP-KRWDZBQOSA-N BDBM210723 SCHEMBL14226441 5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-3-yl-ethyl)-amide US9290451, 365
Inchi Key	ABNXKNCXFQSSMP-KRWDZBQOSA-N
Inchi ID	InChI=1S/C20H22F3N3O3S/c1-12(2)11-30(28,29)19-15(13-5-6-13)7-8-16(25-19)18(27)26-17(20(21,22)23)14-4-3-9-24-10-14/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3,(H,26,27)/t17-/m0/s1
PubChem CID	71105750
ChEMBL	CHEMBL3936958
IUPHAR	N/A
BindingDB	210723
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
535937	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
535936	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360

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