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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	CHEMBL240996
Molecular formula	C23H26F3N3O
IUPAC name	2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-3H-isoindol-1-one
Molecular weight	417.476
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50216044 2-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)butyl)-1-isoindolinone
Inchi Key	CROXIASATJXZSZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26F3N3O/c24-23(25,26)19-7-5-8-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-17-18-6-1-2-9-21(18)22(29)30/h1-2,5-9,16H,3-4,10-15,17H2
PubChem CID	44436308
ChEMBL	CHEMBL240996
IUPHAR	N/A
BindingDB	50216044
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
48978	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
48977	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
48976	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400

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