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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	CHEMBL3901297
Molecular formula	C38H37ClF3N5O3S
IUPAC name	1-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular weight	736.251
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	9.8
Synonyms	US9428504, 134 BDBM245384 SCHEMBL16782868
Inchi Key	ABKZQCZUEKILKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C38H37ClF3N5O3S/c1-36(2,3)21-46-18-16-37(17-19-46)22-47(33-30(48)14-13-26(32(33)37)34-44-28-20-23(39)8-15-31(28)51-34)29-7-5-4-6-27(29)45-35(49)43-24-9-11-25(12-10-24)50-38(40,41)42/h4-15,20,48H,16-19,21-22H2,1-3H3,(H2,43,45,49)
PubChem CID	136992598
ChEMBL	CHEMBL3901297
IUPHAR	N/A
BindingDB	245384
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
557332	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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