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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	CHEMBL82591
Molecular formula	C22H28N2O2
IUPAC name	1-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]-4-(4-methoxyphenyl)piperazine
Molecular weight	352.478
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.6
Synonyms	1-((R)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine BDBM50051564 1beta-[2-[4-(4-Methoxyphenyl)-1-piperazinyl]ethyl]-3,4-dihydro-1H-2-benzopyran
Inchi Key	IAUNACXRZSWWJT-JOCHJYFZSA-N
Inchi ID	InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m1/s1
PubChem CID	11792324
ChEMBL	CHEMBL82591
IUPHAR	N/A
BindingDB	50051564
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
128764	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
128767	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
128766	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
128765	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446
128763	D(4) dopamine receptor	P30729	Drd4	Rattus norvegicus (Rat)	387

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