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Ligand

NameCHEMBL54266
Molecular formulaC23H32N2O4S
IUPAC nameN-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide
Molecular weight432.579
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
Synonyms5-Methoxy-3-{N-propyl-N-(3-(4-toluenesulfonylamino)propyl]amino}chroman
5-METHOXY-3-{N-PROPYL-N-[3-(4-TOLUENESULFONYLAMINO)PROPYL]AMINO}CHROMAN
CHEMBL280586
SCHEMBL9305461
AQJAKCNEOWYUTG-UHFFFAOYSA-N
[ Show all ]
Inchi KeyAQJAKCNEOWYUTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32N2O4S/c1-4-14-25(19-16-21-22(28-3)7-5-8-23(21)29-17-19)15-6-13-24-30(26,27)20-11-9-18(2)10-12-20/h5,7-12,19,24H,4,6,13-17H2,1-3H3
PubChem CID9980269
ChEMBLCHEMBL280586
IUPHARN/A
BindingDB50036847
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
118075-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
118095-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
118125-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
11806Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
11808Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
11811D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
11810D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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