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Ligand

NameCHEMBL309518
Molecular formulaC24H27N3O5S2
IUPAC name3-[1-[4-(5-methylsulfanyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
Molecular weight501.616
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50071654
SCHEMBL8672673
3-{1-[4-(5-Methylsulfanyl-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-3H-benzooxazol-2-one
Inchi KeyAACTUBFOGVFADC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3O5S2/c1-33-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
PubChem CID19085858
ChEMBLCHEMBL309518
IUPHARN/A
BindingDB50071654
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
62Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
63Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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