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Ligand

NameCHEMBL423212
Molecular formulaC24H30N6S
IUPAC nameN-methyl-N-(thiophen-2-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
Molecular weight434.606
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50083089
Methyl-thiophen-2-ylmethyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
SCHEMBL7480186
Inchi KeyBCMVUEDKNGBXFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N6S/c1-28(16-22-5-3-13-31-22)20-8-11-29(12-9-20)10-2-4-19-15-25-24-7-6-21(14-23(19)24)30-17-26-27-18-30/h3,5-7,13-15,17-18,20,25H,2,4,8-12,16H2,1H3
PubChem CID10717709
ChEMBLCHEMBL423212
IUPHARN/A
BindingDB50083089
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
203235-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
203225-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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