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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	CHEMBL3894893
Molecular formula	C37H35ClF4N6O2S
IUPAC name	1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxy-4-[6-(trifluoromethyl)pyridin-3-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight	739.231
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	8.9
Synonyms	BDBM245407 SCHEMBL16782866 US9428504, 162
Inchi Key	BPQAXVMJNZGVIL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H35ClF4N6O2S/c1-35(2,3)19-47-14-12-36(13-15-47)20-48(32-27(49)17-23(39)30(31(32)36)21-8-11-29(43-18-21)37(40,41)42)26-7-5-4-6-24(26)44-33(50)46-34-45-25-10-9-22(38)16-28(25)51-34/h4-11,16-18,49H,12-15,19-20H2,1-3H3,(H2,44,45,46,50)
PubChem CID	118130680
ChEMBL	CHEMBL3894893
IUPHAR	N/A
BindingDB	245407
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
534020	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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