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Ligand

NameCHEMBL576631
Molecular formulaC17H19N5
IUPAC name7-benzyl-5-methyl-3,4,6,8,12-pentazatricyclo[7.5.0.02,6]tetradeca-1(9),2,4,7-tetraene
Molecular weight293.374
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50301292
4-Benzyl-3-methyl-7,8,9,10-tetrahyd ro-6H-1,2,3a,5,8-pentaaza-cyclohept a[e]indene
Inchi KeyBNWRHXNSEMHGSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N5/c1-12-20-21-17-14-7-9-18-10-8-15(14)19-16(22(12)17)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
PubChem CID45484663
ChEMBLCHEMBL576631
IUPHARN/A
BindingDB50301292
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
285085-hydroxytryptamine receptor 2AO46635HTR2ACanis lupus familiaris (Dog)470

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