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Ligand

NameSCHEMBL2683742
Molecular formulaC29H38N4O2
IUPAC name(1R,2R,3R,4S)-3-N-(2-indol-1-ylethyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight474.649
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.2
SynonymsCHEMBL3727736
Inchi KeyBTBQJDVHEWEVFA-PZXVYJQKSA-N
Inchi IDInChI=1S/C29H38N4O2/c34-27(30-14-3-4-16-32-17-5-6-18-32)25-22-9-10-23(29(22)12-13-29)26(25)28(35)31-15-20-33-19-11-21-7-1-2-8-24(21)33/h1-2,7-11,19,22-23,25-26H,3-6,12-18,20H2,(H,30,34)(H,31,35)/t22-,23+,25-,26-/m1/s1
PubChem CID67496176
ChEMBLCHEMBL3727736
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
522514N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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