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Ligand

NameCHEMBL80711
Molecular formulaC22H28N4O2
IUPAC nameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-imine
Molecular weight380.492
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.9
SynonymsCHEMBL1179506
BDBM50290197
(2H-Benzo[1,4]oxazin-3-yl)-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amine; compound with but-2-enedioic acid
Inchi KeyAKTQSTPCOLTVQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N4O2/c1-27-21-10-5-3-8-19(21)26-15-13-25(14-16-26)12-6-11-23-22-17-28-20-9-4-2-7-18(20)24-22/h2-5,7-10H,6,11-17H2,1H3,(H,23,24)
PubChem CID135887940
ChEMBLN/A
IUPHARN/A
BindingDB50290197
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7890D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
7891D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
7892D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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