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Ligand

NameCHEMBL253880
Molecular formulaC29H36BrN5O
IUPAC name[(6aR,9R,10aR)-5-bromo-7-(3-methylbutyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Molecular weight550.545
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50423482
Inchi KeyIJWOVXYTICBRTE-QFZWGZQFSA-N
Inchi IDInChI=1S/C29H36BrN5O/c1-19(2)9-11-35-18-20(29(36)34-14-12-33(13-15-34)26-8-3-4-10-31-26)16-22-21-6-5-7-24-27(21)23(17-25(22)35)28(30)32-24/h3-8,10,19-20,22,25,32H,9,11-18H2,1-2H3/t20-,22-,25-/m1/s1
PubChem CID44447032
ChEMBLCHEMBL253880
IUPHARN/A
BindingDB50423482
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
135047Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391

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