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Ligand

NameCHEMBL398655
Molecular formulaC25H32N4O3
IUPAC name6-[4-[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-3-carbonyl]piperazin-1-yl]-1H-pyridin-2-one
Molecular weight436.556
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50423332
Inchi KeyBNGQXABJFRJMKO-SFHLNBCPSA-N
Inchi IDInChI=1S/C25H32N4O3/c1-27-16-19(13-18-14-20-17(15-21(18)27)5-3-6-22(20)32-2)25(31)29-11-9-28(10-12-29)23-7-4-8-24(30)26-23/h3-8,18-19,21H,9-16H2,1-2H3,(H,26,30)/t18-,19-,21-/m1/s1
PubChem CID44441874
ChEMBLCHEMBL398655
IUPHARN/A
BindingDB50423332
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
28102Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
28101Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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