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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	MLS000537437
Molecular formula	C25H19BrF3N3O2S
IUPAC name	2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
Molecular weight	562.405
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.9
Synonyms	SMR000161057 CHEMBL1540366 ZINC8416421 2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Inchi Key	ADLUAFINTBULOC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H19BrF3N3O2S/c1-14-18(11-22(33)16-7-9-17(26)10-8-16)15(2)31-24(19(14)12-30)35-13-23(34)32-21-6-4-3-5-20(21)25(27,28)29/h3-10H,11,13H2,1-2H3,(H,32,34)
PubChem CID	9525184
ChEMBL	CHEMBL1540366
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
2400	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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