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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	PNU-109291
Molecular formula	C24H31N3O3
IUPAC name	(1S)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight	409.53
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	NCGC00378655-01 (1S)-1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N-methyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide BDBM50064786 (S)-3,4-DIHYDRO-1-[2-[4-(4-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-METHYL-1H-2-BENZOPYRAN-6-CARBOXAMIDE D0T1SF U-109291 AKOS024457165 PNU 109291 (S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide PNU109291 187665-60-7 GTPL3228 ZINC3828610 B7104 PNU-109,291 (S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide CHEMBL71838 SCHEMBL5595821 [ Show all ]
Inchi Key	UDLSEQDYARNKTL-QHCPKHFHSA-N
Inchi ID	InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1
PubChem CID	9909448
ChEMBL	CHEMBL71838
IUPHAR	N/A
BindingDB	50064786
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
334209	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
334207	5-hydroxytryptamine receptor 1B	Q9N2B7	HTR1B	Gorilla gorilla gorilla (Western lowland gorilla)	390
334208	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
334211	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
334210	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
334206	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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