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Ligand

NameCHEMBL373174
Molecular formulaC24H20BrNO3
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-methyl-7-oxa-8-azabicyclo[4.2.0]octa-1(6),2,4-triene
Molecular weight450.332
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50167753
8-((2S,3aS,12bS)-11-Bromo-2,3,3a,12b-tetrahydro-1,8-dioxa-dibenzo[e,h]azulen-2-ylmethyl)-3-methyl-7-oxa-8-aza-bicyclo[4.2.0]octa-1(6),2,4-triene
Inchi KeyMHHXJUJWDGPAEH-KEWLPNKHSA-N
Inchi IDInChI=1S/C24H20BrNO3/c1-14-6-8-23-20(10-14)26(29-23)13-16-12-18-17-4-2-3-5-21(17)28-22-9-7-15(25)11-19(22)24(18)27-16/h2-11,16,18,24H,12-13H2,1H3/t16-,18-,24-/m0/s1
PubChem CID44402676
ChEMBLCHEMBL373174
IUPHARN/A
BindingDB50167753
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2054725-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2054715-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
205473Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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