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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	T 98475
Molecular formula	C37H37F2N3O4S
IUPAC name	propan-2-yl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
Molecular weight	657.777
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	7.5
Synonyms	Thieno(2,3-b)pyridine-5-carboxylic acid, 7-((2,6-difluorophenyl)methyl)-4,7-dihydro-2-(4-((2-methyl-1-oxopropyl)amino)phenyl)-3-((methyl(phenylmethyl)amino)methyl)-4-oxo-, 1-methylethyl ester, hydrochloride 192887-28-8 CHEBI:93085 FT-0761854 NCGC00167759-01 RT-015869 CHEMBL71917 Isopropyl 3-((benzyl(methyl)amino)methyl)-7-((2,6-difluorophenyl)methyl)-2-(4-(2-methylpropanoylamino)phenyl)-4-oxo-thieno(2,3-b)pyridine-5-carboxylate T-98475 BDBM50067485 DTXSID90432134 L018316 UNII-F1KLT23O3A 199119-18-1 CHEMBL544440 GTPL1184 Propan-2-yl 3-((benzyl(methyl)amino)methyl)-7-((2,6-difluorophenyl)methyl)-2-(4-(2-methylpropanoylamino)phenyl)-4-oxothieno(2,3-b)pyridine-5-carboxylate SCHEMBL7497514 7-[(2,6-Difluorophenyl)methyl]-4,7-dihydro-2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[[methyl(phenylmethyl)amino]methyl]-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid 1-methylethyl ester CTK8E7257 Isopropyl 3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-2-(4-isobutyrylaminophenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate hydrochloride T98475 BRD-K62221994-001-01-8 F1KLT23O3A MolPort-023-276-465 propan-2-yl 7-[(2,6-difluorophenyl)methyl]-3-[(methyl-(phenylmethyl)amino)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[3,2-e]pyridine-5-carboxylate ZINC4424097 3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-2-(4-isobutyrylamino-phenyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid isopropyl ester; hydrochloride HMS3269M21 AKOS024457145 D02NCO J-012487 [ Show all ]
Inchi Key	RANJJVIMTOIWIN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
PubChem CID	9874838
ChEMBL	CHEMBL71917
IUPHAR	1184
BindingDB	50067485
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
291368	Gonadotropin-releasing hormone receptor	P30969	Gnrhr	Rattus norvegicus (Rat)	327
291369	Gonadotropin-releasing hormone receptor	P30968	GNRHR	Homo sapiens (Human)	328
291370	Gonadotropin-releasing hormone receptor	Q8SPZ1	GNRHR	Macaca mulatta (Rhesus macaque)	59

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