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Ligand

NameCHEMBL3397077
Molecular formulaC32H31FN4O2
IUPAC name2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-(4-methylphenyl)pyrido[1,2-c]pyrimidine-1,3-dione
Molecular weight522.624
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50062151
Inchi KeyAJBVFXOBGJCYGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H31FN4O2/c1-22-7-9-24(10-8-22)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-23(14-19-35)27-21-34-28-12-11-25(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3
PubChem CID118726393
ChEMBLCHEMBL3397077
IUPHARN/A
BindingDB50062151
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4419695-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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