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Ligand

NameCHEMBL134543
Molecular formulaC28H30N2O3S
IUPAC name11-[2-(4-benzylpiperazin-1-yl)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight474.619
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.2
SynonymsSCHEMBL9316554
6,11-Dihydro-11-[[2-(4-benzylpiperazin-1-yl)ethyl]thio]dibenz[b,e]oxepin-2-carboxylic acid
11-[2-(4-Benzyl-piperazin-1-yl)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
BDBM50040112
L003055
Inchi KeyAAGQTOSVLSYVDV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N2O3S/c31-28(32)22-10-11-26-25(18-22)27(24-9-5-4-8-23(24)20-33-26)34-17-16-29-12-14-30(15-13-29)19-21-6-2-1-3-7-21/h1-11,18,27H,12-17,19-20H2,(H,31,32)
PubChem CID10344845
ChEMBLCHEMBL134543
IUPHARN/A
BindingDB50040112
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
190Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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