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Ligand

NameSCHEMBL4802558
Molecular formulaC24H33N3O4S
IUPAC nameN-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
Molecular weight459.605
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.7
SynonymsCHEMBL2364453
Inchi KeyAXCLMWWQFJTKNU-CALCHBBNSA-N
Inchi IDInChI=1S/C24H33N3O4S/c1-16-14-27(15-17(2)25-16)19-6-8-23(30-5)21(13-19)26-32(28,29)20-7-9-22-18(12-20)10-11-24(3,4)31-22/h6-9,12-13,16-17,25-26H,10-11,14-15H2,1-5H3/t16-,17+
PubChem CID11576203
ChEMBLCHEMBL2364453
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
16552Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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