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Ligand

NameCHEMBL3977376
Molecular formulaC27H29N5O4
IUPAC name(3S)-N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-hydroxypiperidine-1-carboxamide
Molecular weight487.56
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL12421278
Inchi KeyAGXOFTPHIOIAFM-CVDCTZTESA-N
Inchi IDInChI=1S/C27H29N5O4/c1-16(2)35-24-11-8-17(13-18(24)14-28)26-30-25(31-36-26)22-7-3-6-21-20(22)9-10-23(21)29-27(34)32-12-4-5-19(33)15-32/h3,6-8,11,13,16,19,23,33H,4-5,9-10,12,15H2,1-2H3,(H,29,34)/t19-,23-/m0/s1
PubChem CID58344642
ChEMBLCHEMBL3977376
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
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GLASS IDNameUniProtGeneSpeciesLength
536071Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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