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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	CHEMBL3919524
Molecular formula	C27H27F4N5O
IUPAC name	1-[6-[(2R)-4-[1-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]-2-methylpiperazin-1-yl]-4-(trifluoromethyl)pyridin-3-yl]ethanone
Molecular weight	513.541
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	5.1
Synonyms	SCHEMBL13491064
Inchi Key	BPBSSGDAWAXKLS-MRXNPFEDSA-N
Inchi ID	InChI=1S/C27H27F4N5O/c1-16-15-35(10-11-36(16)25-13-23(27(29,30)31)22(14-32-25)17(2)37)26-21-5-3-4-20(21)24(33-34-26)12-18-6-8-19(28)9-7-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1
PubChem CID	59191603
ChEMBL	CHEMBL3919524
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
536736	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793
536737	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787

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