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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	CHEMBL3896467
Molecular formula	C31H32ClF3N6OS
IUPAC name	4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[[5-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-thiadiazol-2-yl]amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
Molecular weight	629.143
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	7.8
Synonyms	BDBM177971 SCHEMBL15605985 US9120798, 8
Inchi Key	AAUMEBRGOQIAOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H32ClF3N6OS/c1-29(2,3)17-40-14-12-30(13-15-40)18-41(26-24(42)11-9-20(32)25(26)30)23-7-5-4-6-21(23)37-28-39-38-27(43-28)22-10-8-19(16-36-22)31(33,34)35/h4-11,16,42H,12-15,17-18H2,1-3H3,(H,37,39)
PubChem CID	73053268
ChEMBL	CHEMBL3896467
IUPHAR	N/A
BindingDB	177971
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
459238	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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