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Ligand

NameCHEMBL2031471
Molecular formulaC23H31N3O2
IUPAC name8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-propan-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one
Molecular weight381.52
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50384402
Inchi KeyAZBGZTWRYFLSNW-QGZVFWFLSA-N
Inchi IDInChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/s1
PubChem CID70690039
ChEMBLCHEMBL2031471
IUPHARN/A
BindingDB50384402
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17988Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
17986Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
17987Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
17990Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
17989Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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