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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	CHEMBL111258
Molecular formula	C27H33N3O3
IUPAC name	N-[3-(azepan-1-yl)propyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
Molecular weight	447.579
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.8
Synonyms	BDBM50109063 N-[3-(Hexahydro-1H-azepine-1-yl)propyl]-N-(1,3-benzodioxole-5-ylmethyl)-3-(4-methylphenyl)isoxazole-5-amine (3-Azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-(3-p-tolyl-isoxazol-5-yl)-amine
Inchi Key	CDYMXRUWHVBUKR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H33N3O3/c1-21-7-10-23(11-8-21)24-18-27(33-28-24)30(16-6-15-29-13-4-2-3-5-14-29)19-22-9-12-25-26(17-22)32-20-31-25/h7-12,17-18H,2-6,13-16,19-20H2,1H3
PubChem CID	44339002
ChEMBL	CHEMBL111258
IUPHAR	N/A
BindingDB	50109063
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
39685	Proteinase-activated receptor 1	P25116	F2R	Homo sapiens (Human)	425

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