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Ligand

NameCHEMBL3970705
Molecular formulaC28H31N5O6S
IUPAC nameN-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-hydroxypiperidin-1-yl)-2-oxoethanesulfonamide
Molecular weight565.645
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.2
SynonymsSCHEMBL12421230
Inchi KeyACTOYVGYDQNQHQ-DEOSSOPVSA-N
Inchi IDInChI=1S/C28H31N5O6S/c1-17(2)38-25-9-6-18(14-19(25)15-29)28-30-27(31-39-28)23-5-3-4-22-21(23)7-8-24(22)32-40(36,37)16-26(35)33-12-10-20(34)11-13-33/h3-6,9,14,17,20,24,32,34H,7-8,10-13,16H2,1-2H3/t24-/m0/s1
PubChem CID58344876
ChEMBLCHEMBL3970705
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
535964Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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