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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	CHEMBL94726
Molecular formula	C43H45FN4O7
IUPAC name	[1-[2-[3-(1,3-benzodioxol-5-yl)-1-(2,3,4-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanone
Molecular weight	748.852
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	6.8
Synonyms	[3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(2,3,4-trimethoxy-phenyl)-methanone BDBM50290738 SCHEMBL7956642
Inchi Key	CTPOZVITFCJCLL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C43H45FN4O7/c1-51-36-15-13-32(39(52-2)40(36)53-3)42(50)47-23-19-43(26-47,30-10-14-35-37(24-30)55-27-54-35)18-22-46-20-16-29(17-21-46)38(49)41-45-33-6-4-5-7-34(33)48(41)25-28-8-11-31(44)12-9-28/h4-15,24,29H,16-23,25-27H2,1-3H3
PubChem CID	10190638
ChEMBL	CHEMBL94726
IUPHAR	N/A
BindingDB	50290738
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
50308	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
50307	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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