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Ligand

NameCHEMBL1778247
Molecular formulaC22H24FN5O3S
IUPAC name4-[[6-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-5-methylpyrimidin-4-yl]amino]-3-fluorobenzonitrile
Molecular weight457.524
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.6
SynonymsSCHEMBL16281166
BDBM50344510
4-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-methylpyrimidin-4-ylamino)-3-fluorobenzonitrile
Inchi KeyBINDQPLQDDZPGU-HOTGVXAUSA-N
Inchi IDInChI=1S/C22H24FN5O3S/c1-13-21(27-20-7-2-14(11-24)8-19(20)23)25-12-26-22(13)31-17-9-15-3-4-16(10-17)28(15)32(29,30)18-5-6-18/h2,7-8,12,15-18H,3-6,9-10H2,1H3,(H,25,26,27)/t15-,16-/m0/s1
PubChem CID54585581
ChEMBLN/A
IUPHARN/A
BindingDB50344510
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24576Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335
24577Glucose-dependent insulinotropic receptorQ7TQP3Gpr119Mus musculus (Mouse)335

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