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Ligand

NameCHEMBL3800065
Molecular formulaC25H26N6O3
IUPAC name3-[1,3-benzodioxol-5-yl-(1-tert-butyltetrazol-5-yl)methyl]-1,2,5,6-tetrahydroazepino[4,5-b]indol-4-one
Molecular weight458.522
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
SynonymsN/A
Inchi KeyJHRXMRMBPPTVTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N6O3/c1-25(2,3)31-24(27-28-29-31)23(15-8-9-20-21(12-15)34-14-33-20)30-11-10-17-16-6-4-5-7-18(16)26-19(17)13-22(30)32/h4-9,12,23,26H,10-11,13-14H2,1-3H3
PubChem CID72696442
ChEMBLCHEMBL3800065
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5258565-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436

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