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Ligand

NameCHEMBL3717693
Molecular formulaC28H28F6N6O3
IUPAC nameazetidin-1-yl-[2-(cyclopropylamino)-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
Molecular weight610.561
Hydrogen bond acceptor14
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyCTDBHQFGHFYWBT-BQAIUKQQSA-N
Inchi IDInChI=1S/C26H27F3N6O.C2HF3O2/c27-16-2-5-18(19(28)12-16)23(29)15-6-10-34(11-7-15)25-24(31-17-3-4-17)32-20-13-21(30-14-22(20)33-25)26(36)35-8-1-9-35;3-2(4,5)1(6)7/h2,5,12-15,17,23H,1,3-4,6-11H2,(H,31,32);(H,6,7)/t23-;/m0./s1
PubChem CID127024778
ChEMBLCHEMBL3717693
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522999G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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