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Ligand

NameCHEMBL51888
Molecular formulaC22H30N2O4S
IUPAC nameN-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]-4-methylbenzenesulfonamide
Molecular weight418.552
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50036863
5-METHOXY-3-{N-PROPYL-N-[2-(4-TOLUENESUlFONYLAMINO)ETHYL]AMINO}CHROMAN
N-{2-[(5-Methoxy-chroman-3-yl)-propyl-amino]-ethyl}-4-methyl-benzenesulfonamide; compound with oxalic acid
DKIWOYFHZPJYPI-UHFFFAOYSA-N
SCHEMBL9304468
[ Show all ]
Inchi KeyDKIWOYFHZPJYPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O4S/c1-4-13-24(14-12-23-29(25,26)19-10-8-17(2)9-11-19)18-15-20-21(27-3)6-5-7-22(20)28-16-18/h5-11,18,23H,4,12-16H2,1-3H3
PubChem CID10364722
ChEMBLCHEMBL280608
IUPHARN/A
BindingDB50036863
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
623145-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
623175-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
623155-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
62316Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
62318Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
62319D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
62320D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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