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Ligand

NameCHEMBL370607
Molecular formulaC23H19BrN2O3
IUPAC name8-[[(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]methyl]-7-oxa-8-azabicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
Molecular weight451.32
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50167769
8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-trien-3-ylamine
Inchi KeyRBZVBPKXRQQXIX-YGJVYZRNSA-N
Inchi IDInChI=1S/C23H19BrN2O3/c24-13-5-7-21-18(9-13)23-17(16-3-1-2-4-20(16)28-21)11-15(27-23)12-26-19-10-14(25)6-8-22(19)29-26/h1-10,15,17,23H,11-12,25H2/t15-,17-,23-/m0/s1
PubChem CID44402349
ChEMBLCHEMBL370607
IUPHARN/A
BindingDB50167769
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
2925635-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2925645-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
292565Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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