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Ligand

NameCHEMBL147546
Molecular formulaC29H37N7O
IUPAC nameN-[4-[2-[methyl-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethyl]phenyl]acetamide
Molecular weight499.663
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsSCHEMBL4342313
BDBM50083093
N-{4-[2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amino)-ethyl]-phenyl}-acetamide
Inchi KeyAYAPTOSOXFKYOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H37N7O/c1-22(37)33-25-7-5-23(6-8-25)11-15-34(2)26-12-16-35(17-13-26)14-3-4-24-19-30-29-10-9-27(18-28(24)29)36-20-31-32-21-36/h5-10,18-21,26,30H,3-4,11-17H2,1-2H3,(H,33,37)
PubChem CID10839082
ChEMBLCHEMBL147546
IUPHARN/A
BindingDB50083093
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
172745-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
172735-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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