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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	CHEMBL3979766
Molecular formula	C23H22N2O5
IUPAC name	propyl 4-[(4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate
Molecular weight	406.438
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50196088 propyl 4-({[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinolin-3-yl]carbonyl}amino)benzoate MCULE-2500989881 propyl 4-{[(1-allyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}benzoate AKOS000624467 Oprea1_247520 propyl 4-[(2-hydroxy-4-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]benzoate AC1LYO95 MolPort-001-731-440 STK054775 BAS 00693239 Oprea1_658526 331963-06-5 propyl 4-[4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-amido]benzoate AC1Q2Y8A MolPort-044-565-642 ZINC100551162 [ Show all ]
Inchi Key	CUKVXJRCLAGDMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N2O5/c1-3-13-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)24-16-11-9-15(10-12-16)23(29)30-14-4-2/h3,5-12,26H,1,4,13-14H2,2H3,(H,24,27)
PubChem CID	54697820
ChEMBL	CHEMBL3979766
IUPHAR	N/A
BindingDB	50196088
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
537255	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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