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Ligand

NameCHEMBL3902681
Molecular formulaC25H28F2N6O3
IUPAC name[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-(1,2-oxazol-5-yl)methanone
Molecular weight498.535
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.6
SynonymsSCHEMBL16818305
(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)(isoxazol-5-yl)methanone
US9181249, 18
BDBM190907
DFRPGOORGHJXGT-UHFFFAOYSA-N
[ Show all ]
Inchi KeyDFRPGOORGHJXGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28F2N6O3/c1-15(2)29-23-24(32-10-6-17(7-11-32)35-21-4-3-16(26)13-18(21)27)31-19-8-12-33(14-20(19)30-23)25(34)22-5-9-28-36-22/h3-5,9,13,15,17H,6-8,10-12,14H2,1-2H3,(H,29,30)
PubChem CID118159320
ChEMBLCHEMBL3902681
IUPHARN/A
BindingDB190907
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
517617G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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