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Ligand

NameCHEMBL3797957
Molecular formulaC24H25ClN6O
IUPAC name3-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-1,2,5,6-tetrahydroazepino[4,5-b]indol-4-one
Molecular weight448.955
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
Synonyms3-[alpha-(1-tert-Butyl-1H-tetrazole-5-yl)-4-chlorobenzyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-4-one
Inchi KeyDHLRIDCQMQODSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25ClN6O/c1-24(2,3)31-23(27-28-29-31)22(15-8-10-16(25)11-9-15)30-13-12-18-17-6-4-5-7-19(17)26-20(18)14-21(30)32/h4-11,22,26H,12-14H2,1-3H3
PubChem CID72698133
ChEMBLCHEMBL3797957
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
5232975-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436

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