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Ligand

NameCHEMBL401349
Molecular formulaC36H49N5O2S
IUPAC name1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[5-(3,5-dimethylphenyl)-4-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-6H-thieno[2,3-b]pyrrol-2-yl]-2-methylpropan-1-one
Molecular weight615.881
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50225101
L022775
2-[1,1-Dimethyl-2-oxo-2-(7-azabicyclo[2.2.1]heptane-7-yl)ethyl]-4-[2-[4-(2-oxo-2-pyrrolizinoethyl)piperazino]ethyl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrole
SCHEMBL4373554
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
Inchi KeyBRRJNHJWPVIHFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H49N5O2S/c1-24-19-25(2)21-26(20-24)33-29(11-14-38-15-17-39(18-16-38)23-32(42)40-12-5-6-13-40)30-22-31(44-34(30)37-33)36(3,4)35(43)41-27-7-8-28(41)10-9-27/h19-22,27-28,37H,5-18,23H2,1-4H3
PubChem CID44185958
ChEMBLCHEMBL401349
IUPHARN/A
BindingDB50225101
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
31285Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
31286Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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