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Ligand

NameSCHEMBL2683528
Molecular formulaC28H39N3O2
IUPAC name(1R,2R,3R,4S)-3-N-[(2,5-dimethylphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight449.639
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.7
SynonymsCHEMBL3728279
Inchi KeyARCXDGPPQNKKNF-ZFFYZDHPSA-N
Inchi IDInChI=1S/C28H39N3O2/c1-19-7-8-20(2)21(17-19)18-30-27(33)25-23-10-9-22(28(23)11-12-28)24(25)26(32)29-13-3-4-14-31-15-5-6-16-31/h7-10,17,22-25H,3-6,11-16,18H2,1-2H3,(H,29,32)(H,30,33)/t22-,23+,24-,25-/m1/s1
PubChem CID67496049
ChEMBLCHEMBL3728279
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
521816N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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