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Ligand

NameSCHEMBL2682956
Molecular formulaC29H41N3O4
IUPAC name(1R,2R,3R,4S)-3-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight495.664
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsCHEMBL3731737
Inchi KeyBIYZFYVOOLIHDQ-USXZWKKNSA-N
Inchi IDInChI=1S/C29H41N3O4/c1-35-23-10-7-20(19-24(23)36-2)11-15-31-28(34)26-22-9-8-21(29(22)12-13-29)25(26)27(33)30-14-3-4-16-32-17-5-6-18-32/h7-10,19,21-22,25-26H,3-6,11-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22+,25-,26-/m1/s1
PubChem CID67495723
ChEMBLCHEMBL3731737
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522316N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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