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Ligand

NameCHEMBL1767144
Molecular formulaC22H23N3O3
IUPAC name4-[[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-4-oxophthalazin-1-yl]methyl]benzoic acid
Molecular weight377.444
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.6
SynonymsBDBM50418273
Inchi KeyAIQKTJZHRRQKTE-QGZVFWFLSA-N
Inchi IDInChI=1S/C22H23N3O3/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(11-9-15)22(27)28/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,27,28)/t17-/m1/s1
PubChem CID52937634
ChEMBLCHEMBL1767144
IUPHARN/A
BindingDB50418273
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6455Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
6456Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
6458Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
6457Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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