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Ligand

NameSCHEMBL2684430
Molecular formulaC24H30BrN3O2
IUPAC name(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-[2-(1-methylpyrrolidin-2-yl)ethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight472.427
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsCHEMBL3729542
Inchi KeyAKPXDVNEQLBKQA-JAGQDSLRSA-N
Inchi IDInChI=1S/C24H30BrN3O2/c1-28-14-2-3-17(28)10-13-26-22(29)20-18-8-9-19(24(18)11-12-24)21(20)23(30)27-16-6-4-15(25)5-7-16/h4-9,17-21H,2-3,10-14H2,1H3,(H,26,29)(H,27,30)/t17?,18-,19+,20-,21-/m1/s1
PubChem CID67496595
ChEMBLCHEMBL3729542
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
521666N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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