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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	CHEMBL3104636
Molecular formula	C31H35F3N4O2
IUPAC name	1-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight	552.642
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	7.4
Synonyms	BDBM50445214
Inchi Key	FDCUCZZKNTVJSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H35F3N4O2/c1-29(2,3)20-37-18-16-30(17-19-37)21-38(26-10-6-4-8-24(26)30)27-11-7-5-9-25(27)36-28(39)35-22-12-14-23(15-13-22)40-31(32,33)34/h4-15H,16-21H2,1-3H3,(H2,35,36,39)
PubChem CID	53350233
ChEMBL	CHEMBL3104636
IUPHAR	N/A
BindingDB	50445214
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
75473	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373
75472	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342
75474	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377

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