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Ligand

NameCHEMBL400677
Molecular formulaC24H31N5O2
IUPAC name[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
Molecular weight421.545
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50423322
Inchi KeyDCUMIDJWPPBCIY-SFHLNBCPSA-N
Inchi IDInChI=1S/C24H31N5O2/c1-27-16-19(13-18-14-20-17(15-21(18)27)5-3-6-22(20)31-2)23(30)28-9-11-29(12-10-28)24-25-7-4-8-26-24/h3-8,18-19,21H,9-16H2,1-2H3/t18-,19-,21-/m1/s1
PubChem CID44441869
ChEMBLCHEMBL400677
IUPHARN/A
BindingDB50423322
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
56742Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
56743Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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