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Ligand

NameCHEMBL3916279
Molecular formulaC24H30F2N6O2
IUPAC name1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight472.541
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.5
SynonymsUS9181249, 154
BDBM191042
SCHEMBL16818179
Inchi KeyDDOBOIJPLXJEPX-IBGZPJMESA-N
Inchi IDInChI=1S/C24H30F2N6O2/c1-16(33)32-6-4-21-22(14-32)28-23(27-19-5-11-34-15-19)24(29-21)31-9-7-30(8-10-31)13-17-2-3-18(25)12-20(17)26/h2-3,12,19H,4-11,13-15H2,1H3,(H,27,28)/t19-/m0/s1
PubChem CID118159198
ChEMBLCHEMBL3916279
IUPHARN/A
BindingDB191042
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
537398G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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