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Ligand

NameCHEMBL1767165
Molecular formulaC40H52N4O3
IUPAC name2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
Molecular weight636.881
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP7.6
SynonymsBDBM50418269
SCHEMBL2820231
Inchi KeyAWKFJGDSZGEFRY-UUWRZZSWSA-N
Inchi IDInChI=1S/C40H52N4O3/c1-46-35-20-18-33(19-21-35)30-39-37-14-4-5-15-38(37)40(45)44(41-39)31-34-13-10-28-43(34)27-9-6-12-32-16-22-36(23-17-32)47-29-11-26-42-24-7-2-3-8-25-42/h4-5,14-23,34H,2-3,6-13,24-31H2,1H3/t34-/m1/s1
PubChem CID24803638
ChEMBLCHEMBL1767165
IUPHARN/A
BindingDB50418269
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16118Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
16119Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
16117Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
16116Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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