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Ligand

NameCHEMBL430122
Molecular formulaC27H32N6O2
IUPAC name4-(5-cyano-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
Molecular weight472.593
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50086100
N-[3-(4-Methylpiperazino)-4-methoxyphenyl]-4-(5-cyano-1H-indole-3-yl)piperidine-1-carboxamide
4-(5-Cyano-1H-indol-3-yl)-piperidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
SCHEMBL6357223
Inchi KeyGJIIWFJJJBJFMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N6O2/c1-31-11-13-32(14-12-31)25-16-21(4-6-26(25)35-2)30-27(34)33-9-7-20(8-10-33)23-18-29-24-5-3-19(17-28)15-22(23)24/h3-6,15-16,18,20,29H,7-14H2,1-2H3,(H,30,34)
PubChem CID10838188
ChEMBLCHEMBL430122
IUPHARN/A
BindingDB50086100
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
979335-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
979345-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
979355-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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