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Ligand

NameCHEMBL194994
Molecular formulaC19H21NO2
IUPAC name1-[(2R,4R,6S)-3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]-N,N-dimethylmethanamine
Molecular weight295.382
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50167754
Dimethyl-[(2R,3aS,12bR)-1-(2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-yl)methyl]-amine
Inchi KeyKUCRPWOVGMMXDP-AZOIQLNYSA-N
Inchi IDInChI=1S/C19H21NO2/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13-,16+,19+/m1/s1
PubChem CID44402509
ChEMBLCHEMBL194994
IUPHARN/A
BindingDB50167754
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
1782835-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1782845-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
178282Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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