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Ligand

NameCHEMBL381000
Molecular formulaC28H27BrN2O4
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]-3-(morpholin-4-ylmethyl)-7-oxa-8-azabicyclo[4.2.0]octa-1(6),2,4-triene
Molecular weight535.438
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50167771
8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-3-morpholin-4-ylmethyl-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-triene
Inchi KeyRSLIYCZOUUDQMA-AHPZTNMXSA-N
Inchi IDInChI=1S/C28H27BrN2O4/c29-19-6-8-26-23(14-19)28-22(21-3-1-2-4-25(21)34-26)15-20(33-28)17-31-24-13-18(5-7-27(24)35-31)16-30-9-11-32-12-10-30/h1-8,13-14,20,22,28H,9-12,15-17H2/t20-,22-,28-/m0/s1
PubChem CID44402482
ChEMBLCHEMBL381000
IUPHARN/A
BindingDB50167771
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3039505-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3039485-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
303949Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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