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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	MLS000438571
Molecular formula	C23H25NO4
IUPAC name	(3-butyl-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl) propanoate
Molecular weight	379.456
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM76126 NCGC00162841-01 cid_16745561 SMR000452623 (3-butyl-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl) propanoate HMS3355E22 propanoic acid (3-butyl-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl) ester CMLD003542 [3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-phenyl-isoquinolin-7-yl] propanoate CHEMBL1452195 propionic acid (3-butyl-6,8-diketo-7-methyl-2-phenyl-7-isoquinolyl) ester HMS2223A17 [ Show all ]
Inchi Key	CFIHYMXDIHOLKK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25NO4/c1-4-6-10-18-13-16-14-20(25)23(3,28-21(26)5-2)22(27)19(16)15-24(18)17-11-8-7-9-12-17/h7-9,11-15H,4-6,10H2,1-3H3
PubChem CID	16745561
ChEMBL	CHEMBL1452195
IUPHAR	N/A
BindingDB	76126
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
40664	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
40665	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
40666	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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