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Ligand

NameCHEMBL92667
Molecular formulaC20H23NO
IUPAC nameN,N-dimethyl-1-[(2S,6R)-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
Molecular weight293.41
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50146348
Dimethyl-[(3aR,12bS)-1-(3,3a,8,12b-tetrahydro-2H-1-oxa-dibenzo[e,h]azulen-2-yl)methyl]-amine
Inchi KeyACTVOFFLDWZANE-ODFWGIBRSA-N
Inchi IDInChI=1S/C20H23NO/c1-21(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)20(19)22-16/h3-10,16,19-20H,11-13H2,1-2H3/t16?,19-,20-/m1/s1
PubChem CID44326319
ChEMBLCHEMBL92667
IUPHARN/A
BindingDB50146348
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
19105-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
19125-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1911Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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