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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	CHEMBL3941789
Molecular formula	C24H26N2O5
IUPAC name	propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
Molecular weight	422.481
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.5
Synonyms	300837-51-8 STK049953 AG-690/11765212 MolPort-044-565-380 BDBM50196085 propyl 4-{[(1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]amino}benzoate MCULE-5069156773 ZINC100551169 AKOS000624501 propyl 4-[(1-butyl-2-hydroxy-4-oxoquinoline-3-carbonyl)amino]benzoate SCHEMBL20535186 AC1LWBPE MolPort-001-731-497 BAS 00693241 propyl 4-{[(1-butyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}benzoate [ Show all ]
Inchi Key	GZKCRVUTBBOLCK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28)
PubChem CID	54683102
ChEMBL	CHEMBL3941789
IUPHAR	N/A
BindingDB	50196085
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
538650	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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