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Ligand

NameCHEMBL365101
Molecular formulaC19H20BrNO2
IUPAC name1-[(2S,4S,6S)-17-bromo-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
Molecular weight374.278
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50167768
((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-dimethyl-amine
Inchi KeyFXHLGRYCQSRFHY-RFUYNDQBSA-N
Inchi IDInChI=1S/C19H20BrNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1
PubChem CID44402704
ChEMBLCHEMBL365101
IUPHARN/A
BindingDB50167768
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
896085-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
896095-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
89610Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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