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Ligand

NameCHEMBL3799279
Molecular formulaC26H27ClN6O
IUPAC name3-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-1,2,5,6-tetrahydroazepino[4,5-b]indol-4-one
Molecular weight474.993
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
Synonyms3-[alpha-(1-Cyclohexyl-1H-tetrazole-5-yl)-4-chlorobenzyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-4-one
Inchi KeyMUHWPEYPYZSODI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27ClN6O/c27-18-12-10-17(11-13-18)25(26-29-30-31-33(26)19-6-2-1-3-7-19)32-15-14-21-20-8-4-5-9-22(20)28-23(21)16-24(32)34/h4-5,8-13,19,25,28H,1-3,6-7,14-16H2
PubChem CID72696313
ChEMBLCHEMBL3799279
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
5276565-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436

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