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Ligand

NameCHEMBL3286560
Molecular formulaC16H19N3O
IUPAC name2-benzyl-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Molecular weight269.348
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsATZHNYMZPOTUJY-UHFFFAOYSA-N
2-benzyl-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
BDBM50019662
SCHEMBL1620484
Inchi KeyATZHNYMZPOTUJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19N3O/c1-20-16-13-7-9-17-10-8-14(13)18-15(19-16)11-12-5-3-2-4-6-12/h2-6,17H,7-11H2,1H3
PubChem CID59312310
ChEMBLCHEMBL3286560
IUPHARN/A
BindingDB50019662
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
144455-hydroxytryptamine receptor 2AO46635HTR2ACanis lupus familiaris (Dog)470
144465-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
144445-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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