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Ligand

NameCHEMBL3121417
Molecular formulaC31H33N3O4
IUPAC name(E)-but-2-enedioic acid;1-(2-ethylphenyl)-3-[(4-phenylpiperazin-1-yl)methyl]indole
Molecular weight511.622
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyAOKINOMXKGTXTL-WLHGVMLRSA-N
Inchi IDInChI=1S/C27H29N3.C4H4O4/c1-2-22-10-6-8-14-26(22)30-21-23(25-13-7-9-15-27(25)30)20-28-16-18-29(19-17-28)24-11-4-3-5-12-24;5-3(6)1-2-4(7)8/h3-15,21H,2,16-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PubChem CID76310810
ChEMBLCHEMBL3121417
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
103115-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
103105-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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