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Ligand

NameCHEMBL279646
Molecular formulaC25H30FN5O2
IUPAC name3-(5-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
Molecular weight451.546
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50086110
N-[3-(4-Methylpiperazino)-4-methoxyphenyl]-3-(5-fluoro-1H-indole-3-yl)pyrrolidine-1-carboxamide
3-(5-Fluoro-1H-indol-3-yl)-pyrrolidine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
Inchi KeyBMVCAMBJKNURKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30FN5O2/c1-29-9-11-30(12-10-29)23-14-19(4-6-24(23)33-2)28-25(32)31-8-7-17(16-31)21-15-27-22-5-3-18(26)13-20(21)22/h3-6,13-15,17,27H,7-12,16H2,1-2H3,(H,28,32)
PubChem CID10647243
ChEMBLCHEMBL279646
IUPHARN/A
BindingDB50086110
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
277995-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
277975-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
277985-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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