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Ligand

NameCHEMBL3973483
Molecular formulaC23H29F2N5O2
IUPAC name1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight445.515
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM190936
FSUXDPIOBQLEKO-UHFFFAOYSA-N
1-(2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone
US9181249, 47
SCHEMBL16818199
[ Show all ]
Inchi KeyFSUXDPIOBQLEKO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29F2N5O2/c1-14(2)26-22-23(28-19-8-11-30(15(3)31)13-20(19)27-22)29-9-6-17(7-10-29)32-21-5-4-16(24)12-18(21)25/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,26,27)
PubChem CID91810771
ChEMBLCHEMBL3973483
IUPHARN/A
BindingDB190936
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
517766G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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