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Ligand

NameCHEMBL3971646
Molecular formulaC25H26N4O6S
IUPAC namemethyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]propanoate
Molecular weight510.565
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.1
SynonymsSCHEMBL12420484
Inchi KeyAGQZYMFXZCISNW-NRFANRHFSA-N
Inchi IDInChI=1S/C25H26N4O6S/c1-15(2)34-22-10-7-16(13-17(22)14-26)25-27-24(28-35-25)20-6-4-5-19-18(20)8-9-21(19)29-36(31,32)12-11-23(30)33-3/h4-7,10,13,15,21,29H,8-9,11-12H2,1-3H3/t21-/m0/s1
PubChem CID58344745
ChEMBLCHEMBL3971646
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536065Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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