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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	CHEMBL1090285
Molecular formula	C31H23F7N2O2
IUPAC name	4-[(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-7-yl]benzonitrile
Molecular weight	588.526
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	6.5
Synonyms	BDBM50314373 4-((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-5-oxo-1,2,3,5,8,8a-hexahydroindolizin-7-yl)benzonitrile
Inchi Key	ATNGEEUVTIJBQN-QGYSTOEISA-N
Inchi ID	InChI=1S/C31H23F7N2O2/c1-17(21-10-23(30(33,34)35)14-24(11-21)31(36,37)38)42-27-16-40-26(29(27)20-6-8-25(32)9-7-20)12-22(13-28(40)41)19-4-2-18(15-39)3-5-19/h2-11,13-14,17,26-27,29H,12,16H2,1H3/t17-,26?,27+,29+/m1/s1
PubChem CID	46884432
ChEMBL	CHEMBL1090285
IUPHAR	N/A
BindingDB	50314373
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
14137	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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