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Ligand

NameCHEMBL3912899
Molecular formulaC24H29F4N5O3
IUPAC name(2S)-1-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-2-methoxypropan-1-one
Molecular weight511.522
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.5
SynonymsFQWWKVZBYLUHMI-AWEZNQCLSA-N
(S)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one
SCHEMBL16818157
US9181249, 99
BDBM190986
Inchi KeyFQWWKVZBYLUHMI-AWEZNQCLSA-N
Inchi IDInChI=1S/C24H29F4N5O3/c1-14(35-2)24(34)33-10-7-18-19(13-33)31-23(22(30-18)29-12-21(27)28)32-8-5-16(6-9-32)36-20-4-3-15(25)11-17(20)26/h3-4,11,14,16,21H,5-10,12-13H2,1-2H3,(H,29,30)/t14-/m0/s1
PubChem CID118159176
ChEMBLCHEMBL3912899
IUPHARN/A
BindingDB190986
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
538094G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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