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Ligand

NameCHEMBL1949930
Molecular formulaC21H25NO5S
IUPAC name(4aS,9aR)-7-(3-methoxy-5-propan-2-yloxyphenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine
Molecular weight403.493
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
SynonymsCHEMBL1963007
BDBM50364326
Inchi KeyDIBPTWMSVTXGKP-FPOVZHCZSA-N
Inchi IDInChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1
PubChem CID57396813
ChEMBLN/A
IUPHARN/A
BindingDB50364326
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
605895-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
605935-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
605875-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
605885-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
605905-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
60594Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
60591Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
60592Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479

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