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Ligand

NameCHEMBL400099
Molecular formulaC26H31N5O2S
IUPAC name[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(2,1,3-benzothiadiazol-5-yl)piperazin-1-yl]methanone
Molecular weight477.627
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50423338
Inchi KeyNCSBHDNNVUROKC-KHCICDEESA-N
Inchi IDInChI=1S/C26H31N5O2S/c1-29-16-19(12-18-13-21-17(14-24(18)29)4-3-5-25(21)33-2)26(32)31-10-8-30(9-11-31)20-6-7-22-23(15-20)28-34-27-22/h3-7,15,18-19,24H,8-14,16H2,1-2H3/t18-,19-,24-/m1/s1
PubChem CID44441886
ChEMBLCHEMBL400099
IUPHARN/A
BindingDB50423338
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
220116Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
220115Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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