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Ligand

NameCHEMBL3753198
Molecular formulaC20H22N6O4
IUPAC name(4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one
Molecular weight410.434
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50136549
Inchi KeyABZDAEIKVWOCAQ-HNNXBMFYSA-N
Inchi IDInChI=1S/C20H22N6O4/c1-11(2)4-14-6-13(5-12(3)23-14)19-25-18(26-30-19)16-7-22-17(8-21-16)28-9-15-10-29-20(27)24-15/h5-8,11,15H,4,9-10H2,1-3H3,(H,24,27)/t15-/m0/s1
PubChem CID127036429
ChEMBLCHEMBL3753198
IUPHARN/A
BindingDB50136549
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
521475Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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