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Ligand

NameCHEMBL251529
Molecular formulaC30H38N4O5
IUPAC name[(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] 2,2-dimethylpropanoate
Molecular weight534.657
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50423316
Inchi KeyBXSFKFRTCWHCLY-XLGIIRLISA-N
Inchi IDInChI=1S/C30H38N4O5/c1-30(2,3)29(36)39-27-7-5-6-20-18-26-21(17-25(20)27)16-22(19-31(26)4)28(35)33-14-12-32(13-15-33)23-8-10-24(11-9-23)34(37)38/h5-11,21-22,26H,12-19H2,1-4H3/t21-,22-,26-/m1/s1
PubChem CID44441663
ChEMBLCHEMBL251529
IUPHARN/A
BindingDB50423316
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35386Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
35385Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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