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Ligand

NameSCHEMBL1880639
Molecular formulaC25H24N4O4
IUPAC name1-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]azetidine-3-carboxylic acid
Molecular weight444.491
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.2
SynonymsCHEMBL3963987
ABJWYYWQOWBHIB-OAQYLSRUSA-N
(R)-1-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
Inchi KeyABJWYYWQOWBHIB-OAQYLSRUSA-N
Inchi IDInChI=1S/C25H24N4O4/c1-14(2)32-22-9-6-15(10-16(22)11-26)24-27-23(28-33-24)20-5-3-4-19-18(20)7-8-21(19)29-12-17(13-29)25(30)31/h3-6,9-10,14,17,21H,7-8,12-13H2,1-2H3,(H,30,31)/t21-/m1/s1
PubChem CID58344872
ChEMBLCHEMBL3963987
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535931Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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