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Ligand

NameCHEMBL3949818
Molecular formulaC25H31F4N5O3
IUPAC name(2S)-1-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-2-methoxypropan-1-one
Molecular weight525.549
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM191000
CNIJPVCRGBRADO-LOACHALJSA-N
(2S)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one
SCHEMBL16818254
(2S)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one
[ Show all ]
Inchi KeyCNIJPVCRGBRADO-LOACHALJSA-N
Inchi IDInChI=1S/C25H31F4N5O3/c1-14-10-19-20(13-34(14)25(35)15(2)36-3)32-24(23(31-19)30-12-22(28)29)33-8-6-17(7-9-33)37-21-5-4-16(26)11-18(21)27/h4-5,11,14-15,17,22H,6-10,12-13H2,1-3H3,(H,30,31)/t14?,15-/m0/s1
PubChem CID118159270
ChEMBLCHEMBL3949818
IUPHARN/A
BindingDB191000
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537159G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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