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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	CHEMBL431362
Molecular formula	C32H36N4O5
IUPAC name	N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
Molecular weight	556.663
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50088416 N-[(S)-2-Hydroxy-3-[4-(2-isopropoxyphenyl)piperazino]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindoline-5-carboxamide 1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide
Inchi Key	IQRXOCGLSGCNLE-VWLOTQADSA-N
Inchi ID	InChI=1S/C32H36N4O5/c1-21(2)41-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-25(37)19-33-30(38)23-10-13-26-27(18-23)32(40)36(31(26)39)24-11-8-22(3)9-12-24/h4-13,18,21,25,37H,14-17,19-20H2,1-3H3,(H,33,38)/t25-/m0/s1
PubChem CID	10792897
ChEMBL	CHEMBL431362
IUPHAR	N/A
BindingDB	50088416
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
139585	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
139586	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
139589	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
139584	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
139583	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
139579	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
139588	Alpha-2B adrenergic receptor	P19328	Adra2b	Rattus norvegicus (Rat)	453
139578	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
139581	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
139587	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
139582	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467
139580	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488

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