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Ligand

NameCHEMBL401091
Molecular formulaC26H29N5O3
IUPAC name(3R,4aR,10aR)-1-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-6-carbonitrile
Molecular weight459.55
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50423300
Inchi KeyBEZVKARNLOFCGJ-DNRQZRRGSA-N
Inchi IDInChI=1S/C26H29N5O3/c1-28-17-21(13-20-14-24-18(15-25(20)28)3-2-4-19(24)16-27)26(32)30-11-9-29(10-12-30)22-5-7-23(8-6-22)31(33)34/h2-8,20-21,25H,9-15,17H2,1H3/t20-,21-,25-/m1/s1
PubChem CID44441667
ChEMBLCHEMBL401091
IUPHARN/A
BindingDB50423300
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
22097Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
22096Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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