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Ligand

NameCHEMBL211731
Molecular formulaC36H36F2N4O3S
IUPAC name3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-4-oxo-2-[4-(propanoylamino)phenyl]-N-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
Molecular weight642.766
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.9
Synonyms3-(N-benzyl-N-methylaminomethyl)-7-(2,6-difluorobenzyl)-4,7-dihydro-N-isopropyl-4-oxo-2-(4-propionylamidophenyl)-thieno[2,3-b]pyridine-5-carboxamide
BDBM50189738
Inchi KeyAOSUFTVXIKYDQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H36F2N4O3S/c1-5-31(43)40-25-16-14-24(15-17-25)34-27(19-41(4)18-23-10-7-6-8-11-23)32-33(44)28(35(45)39-22(2)3)21-42(36(32)46-34)20-26-29(37)12-9-13-30(26)38/h6-17,21-22H,5,18-20H2,1-4H3,(H,39,45)(H,40,43)
PubChem CID11592658
ChEMBLCHEMBL211731
IUPHARN/A
BindingDB50189738
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10571Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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