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Ligand

NameCHEMBL363581
Molecular formulaC19H20FNOS
IUPAC name1-[(2S,4S)-17-fluoro-3-oxa-13-thiatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
Molecular weight329.433
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50162964
(11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibenzo[e,h]azulen-2-ylmethyl)-dimethyl-amine
Inchi KeyBSOLCASXROXPRZ-SHZHJNINSA-N
Inchi IDInChI=1S/C19H20FNOS/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 CID44401106
ChEMBLCHEMBL363581
IUPHARN/A
BindingDB50162964
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
318735-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
318695-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
318705-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
31871Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
31868Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
31872D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
31866D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
31867D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
31874Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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