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Ligand

NameCHEMBL404581
Molecular formulaC21H20FN3
IUPAC name2-benzyl-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
Molecular weight333.41
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50371676
SCHEMBL183656
Inchi KeyAJBWPHMWHDLIKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20FN3/c22-17-10-8-16(9-11-17)21-18-7-4-12-23-14-19(18)24-20(25-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,23H,4,7,12-14H2
PubChem CID16063039
ChEMBLCHEMBL404581
IUPHARN/A
BindingDB50371676
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
67635-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
67645-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
67625-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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