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Ligand

NameCHEMBL1915051
Molecular formulaC13H13ClN6O
IUPAC name6-[3-(aminomethyl)azetidin-1-yl]-12-chloro-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine
Molecular weight304.738
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.1
SynonymsBDBM50356862
Inchi KeyACQYEFIUGPPHLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H13ClN6O/c14-7-1-8-9-10(21-12(8)17-3-7)11(19-13(16)18-9)20-4-6(2-15)5-20/h1,3,6H,2,4-5,15H2,(H2,16,18,19)
PubChem CID57399019
ChEMBLCHEMBL1915051
IUPHARN/A
BindingDB50356862
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1805Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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