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Ligand

NameCHEMBL3799903
Molecular formulaC26H31N3O4
IUPAC nameN-tert-butyl-2-(2,3-dimethoxyphenyl)-2-(4-oxo-1,2,5,6-tetrahydroazepino[4,5-b]indol-3-yl)acetamide
Molecular weight449.551
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsN/A
Inchi KeyHRXRTPAKBUARMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N3O4/c1-26(2,3)28-25(31)23(18-10-8-12-21(32-4)24(18)33-5)29-14-13-17-16-9-6-7-11-19(16)27-20(17)15-22(29)30/h6-12,23,27H,13-15H2,1-5H3,(H,28,31)
PubChem CID127046634
ChEMBLCHEMBL3799903
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
5250685-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436

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