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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	CHEMBL118691
Molecular formula	C21H26ClN5O
IUPAC name	2-[3-[4-(3-chlorophenyl)-2-ethylpiperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular weight	399.923
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.8
Synonyms	2-{3-[4-(3-Chloro-phenyl)-2-ethyl-piperazin-1-yl]-propyl}-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one BDBM50073441
Inchi Key	NXKQJTIEWHWYMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26ClN5O/c1-2-18-16-25(19-8-5-7-17(22)15-19)14-13-24(18)10-6-12-27-21(28)26-11-4-3-9-20(26)23-27/h3-5,7-9,11,15,18H,2,6,10,12-14,16H2,1H3
PubChem CID	10524995
ChEMBL	CHEMBL118691
IUPHAR	N/A
BindingDB	50073441
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
234456	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
234457	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
234455	Histamine H1 receptor	P30546	HRH1	Bos taurus (Bovine)	491

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