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Ligand

NameCHEMBL3954502
Molecular formulaC25H29N3O4
IUPAC nameN-[2-(hydroxymethyl)-7-[5-(3-methyl-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-naphthalen-2-yl]acetamide
Molecular weight435.524
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL16593859
BDBM221924
US9315492, 25
Inchi KeyAICSALBSALSCEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O4/c1-15(2)31-22-8-7-19(11-16(22)3)23-27-28-24(32-23)20-6-5-18-9-10-25(14-29,26-17(4)30)13-21(18)12-20/h5-8,11-12,15,29H,9-10,13-14H2,1-4H3,(H,26,30)
PubChem CID117974195
ChEMBLCHEMBL3954502
IUPHARN/A
BindingDB221924
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
536092Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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