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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	CHEMBL35093
Molecular formula	C22H27N3O
IUPAC name	(3R)-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
Molecular weight	349.478
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.5
Synonyms	ZINC4632541 (R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one BDBM50070518 D0H2IT (R)-PD-172939 PD-172939 [ Show all ]
Inchi Key	WQEPZBNLBWDIRZ-OAQYLSRUSA-N
Inchi ID	InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m1/s1
PubChem CID	9928335
ChEMBL	CHEMBL35093
IUPHAR	N/A
BindingDB	50070518
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
379643	5-hydroxytryptamine receptor 1A	Q64264	Htr1a	Mus musculus (Mouse)	421
379644	5-hydroxytryptamine receptor 2A	Q75Z89	HTR2A	Bos taurus (Bovine)	470
379641	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
379646	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
379642	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
379645	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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