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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	Triazoledione
Molecular formula	C23H28ClN5O3
IUPAC name	1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-phenoxyethyl)-1,2,4-triazolidine-3,5-dione
Molecular weight	457.959
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.6
Synonyms	1,2,4-Triazolidine-3,5-dione, 1-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-4-(2-phenoxyethyl)- PDSP1_001802 153707-88-1 BDBM85197 1-(3-(4-(3-Chlorophenyl)-1-piperazinyl)propyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3,5-dione PDSP2_001785 3508097W2U Triazoledione (td) BMS-180492 1-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-4-(2-phenoxyethyl)-1,2,4-triazolidine-3,5-dione SCHEMBL3471063 UNII-3508097W2U [ Show all ]
Inchi Key	BTNXVMLCKOPOEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28ClN5O3/c24-19-6-4-7-20(18-19)27-14-12-26(13-15-27)10-5-11-29-23(31)28(22(30)25-29)16-17-32-21-8-2-1-3-9-21/h1-4,6-9,18H,5,10-17H2,(H,25,30)
PubChem CID	9804174
ChEMBL	N/A
IUPHAR	N/A
BindingDB	85197
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
32495	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
555608	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
555609	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
32494	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
32497	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
32496	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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