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Ligand

NameCHEMBL3235731
Molecular formulaC22H34N4O3
IUPAC name(2S)-1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanoyl]pyrrolidine-2-carboxamide
Molecular weight402.539
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.8
SynonymsBDBM50003937
Inchi KeyAEMPUGZDRBBCME-IBGZPJMESA-N
Inchi IDInChI=1S/C22H34N4O3/c1-29-20-10-5-4-8-18(20)25-16-14-24(15-17-25)12-6-2-3-11-21(27)26-13-7-9-19(26)22(23)28/h4-5,8,10,19H,2-3,6-7,9,11-17H2,1H3,(H2,23,28)/t19-/m0/s1
PubChem CID90654694
ChEMBLCHEMBL3235731
IUPHARN/A
BindingDB50003937
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
36445-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
36455-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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