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Ligand

NameCHEMBL198216
Molecular formulaC24H28N4O2
IUPAC name(2R)-8-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methyl-4H-1,4-benzoxazin-3-one
Molecular weight404.514
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50176020
(R)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2-methyl-4H-benzo[1,4]oxazin-3-one
Inchi KeyDXVUFDJAEHWWRG-QGZVFWFLSA-N
Inchi IDInChI=1S/C24H28N4O2/c1-17-24(29)26-21-9-4-10-22(23(21)30-17)28-14-12-27(13-15-28)11-5-6-18-16-25-20-8-3-2-7-19(18)20/h2-4,7-10,16-17,25H,5-6,11-15H2,1H3,(H,26,29)/t17-/m1/s1
PubChem CID11574985
ChEMBLCHEMBL198216
IUPHARN/A
BindingDB50176020
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
71697D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444
71698D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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