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Ligand

NameCHEMBL119800
Molecular formulaC24H25N3O2
IUPAC name3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
Molecular weight387.483
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50060516
3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
3-[(E)-3-(Dimethylamino)-1-propenyl]-4-methoxy-N-[4-(4-pyridinyl)phenyl]benzamide
3-[(Z)-3-(Dimethylamino)-1-propenyl]-4-methoxy-N-[4-(4-pyridinyl)phenyl]benzamide
Inchi KeyAAFLHUGZAQQWED-SNAWJCMRSA-N
Inchi IDInChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+
PubChem CID10643939
ChEMBLCHEMBL119800
IUPHARN/A
BindingDB50060516
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
1755-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1775-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1765-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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