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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	MLS000092499
Molecular formula	C26H31FN4O2S
IUPAC name	2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
Molecular weight	482.618
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AKOS001812933 MLS000877189 CHEMBL1503781 SR-01000619276 2-[(1-ethyl-2-keto-4-quinolyl)thio]-N-[3-[4-(2-fluorophenyl)piperazino]propyl]acetamide MCULE-2007505520 BDBM47101 MolPort-007-645-371 2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]ethanamide cid_3242312 SR-01000619276-3 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide AC1MMPB8 SMR000028049 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide HMS2459O08 ZINC4056691 2-[(1-ethyl-2-oxo-4-quinolinyl)thio]-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]acetamide [ Show all ]
Inchi Key	AUNYTVRZCBFVRC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31FN4O2S/c1-2-31-22-10-5-3-8-20(22)24(18-26(31)33)34-19-25(32)28-12-7-13-29-14-16-30(17-15-29)23-11-6-4-9-21(23)27/h3-6,8-11,18H,2,7,12-17,19H2,1H3,(H,28,32)
PubChem CID	3242312
ChEMBL	CHEMBL1503781
IUPHAR	N/A
BindingDB	47101
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
14824	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
14825	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
14826	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
14827	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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