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Ligand

NameCHEMBL399857
Molecular formulaC37H50N4O3S
IUPAC name1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[3-methyl-4-(morpholine-4-carbonyl)piperidin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one
Molecular weight630.892
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50225096
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(3-methyl-4-(morpholine-4-carbonyl)piperidin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
Inchi KeyATYOFXVORANGGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(11-13-39-12-10-29(25(3)22-39)35(42)40-14-16-44-17-15-40)31-21-32(45-34(31)38-33)37(4,5)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3
PubChem CID44444675
ChEMBLCHEMBL399857
IUPHARN/A
BindingDB50225096
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14421Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
14422Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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