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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	CHEMBL3972991
Molecular formula	C33H34ClN7OS
IUPAC name	4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-quinoxalin-2-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
Molecular weight	612.193
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	7.3
Synonyms	BDBM177976 SCHEMBL16894540 US9120798, 16
Inchi Key	BCOGIMHPGVVJSD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H34ClN7OS/c1-32(2,3)19-40-16-14-33(15-17-40)20-41(29-27(42)13-12-21(34)28(29)33)26-11-7-6-10-24(26)37-31-39-38-30(43-31)25-18-35-22-8-4-5-9-23(22)36-25/h4-13,18,42H,14-17,19-20H2,1-3H3,(H,37,39)
PubChem CID	73050928
ChEMBL	CHEMBL3972991
IUPHAR	N/A
BindingDB	177976
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
459395	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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