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Ligand

NameCHEMBL251752
Molecular formulaC27H32N4O4
IUPAC name1-[(3R,4aR,10aR)-1-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]ethanone
Molecular weight476.577
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50423318
Inchi KeyMWGZIXFRKZVJAV-IPVFLDMMSA-N
Inchi IDInChI=1S/C27H32N4O4/c1-18(32)24-5-3-4-19-16-26-20(15-25(19)24)14-21(17-28(26)2)27(33)30-12-10-29(11-13-30)22-6-8-23(9-7-22)31(34)35/h3-9,20-21,26H,10-17H2,1-2H3/t20-,21-,26-/m1/s1
PubChem CID44441668
ChEMBLCHEMBL251752
IUPHARN/A
BindingDB50423318
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
215819Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
215818Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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