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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	CHEMBL439399
Molecular formula	C24H29F6N3O
IUPAC name	1-[3,5-bis(trifluoromethyl)phenyl]-3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]urea
Molecular weight	489.506
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.3
Synonyms	BDBM50198392 SCHEMBL6315122 1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)urea
Inchi Key	YBMDKMCHOKBOLB-YWZLYKJASA-N
Inchi ID	InChI=1S/C24H29F6N3O/c1-22(2)15-4-3-14(20(22)12-15)13-33-7-5-18(6-8-33)31-21(34)32-19-10-16(23(25,26)27)9-17(11-19)24(28,29)30/h3,9-11,15,18,20H,4-8,12-13H2,1-2H3,(H2,31,32,34)/t15-,20-/m0/s1
PubChem CID	44426995
ChEMBL	CHEMBL439399
IUPHAR	N/A
BindingDB	50198392
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
406053	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
406054	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367

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