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Ligand

NameCHEMBL544296
Molecular formulaC26H31N5O
IUPAC nameN-[5-(4-quinolin-2-ylpiperazin-1-yl)pentyl]-4H-1,4-benzoxazin-3-imine
Molecular weight429.568
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50290203
(2H-Benzo[1,4]oxazin-3-yl)-[5-(4-quinolin-2-yl-piperazin-1-yl)-pentyl]-amine; hydrobromide
CHEMBL1192972
Inchi KeyAJJDVTHYWZXRCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N5O/c1(6-14-27-25-20-32-24-11-5-4-10-23(24)28-25)7-15-30-16-18-31(19-17-30)26-13-12-21-8-2-3-9-22(21)29-26/h2-5,8-13H,1,6-7,14-20H2,(H,27,28)
PubChem CID136094687
ChEMBLN/A
IUPHARN/A
BindingDB50290203
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
6963D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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