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Ligand

NameCHEMBL3935897
Molecular formulaC23H28F3N5
IUPAC nameN-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
Molecular weight431.507
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.9
SynonymsUS9181249, 68
BDBM190955
SCHEMBL16818227
Inchi KeyGZJWUTGKWXOMFU-NRFANRHFSA-N
Inchi IDInChI=1S/C23H28F3N5/c1-30-9-8-19-20(13-30)29-23(22(28-19)27-16-3-4-16)31-10-6-14(7-11-31)21(26)17-5-2-15(24)12-18(17)25/h2,5,12,14,16,21H,3-4,6-11,13H2,1H3,(H,27,28)/t21-/m0/s1
PubChem CID118159243
ChEMBLCHEMBL3935897
IUPHARN/A
BindingDB190955
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538648G-protein coupled receptor 6P46095GPR6Homo sapiens (Human)362

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