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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	CHEMBL252258
Molecular formula	C26H32F4N4O2
IUPAC name	1-[8-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight	508.562
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.6
Synonyms	BDBM50227866 1-(8-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea
Inchi Key	IENZWNOPOBXYDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H32F4N4O2/c1-15(35)34-23-3-2-4-24(34)8-16(7-23)14-33-21-5-6-22(33)13-20(12-21)32-25(36)31-19-10-17(26(28,29)30)9-18(27)11-19/h7,9-11,20-24H,2-6,8,12-14H2,1H3,(H2,31,32,36)
PubChem CID	24936155
ChEMBL	CHEMBL252258
IUPHAR	N/A
BindingDB	50227866
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
131379	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
131377	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
131378	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367
131381	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
131376	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
131380	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
131382	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590

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