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Ligand

NameCHEMBL3728401
Molecular formulaC22H28BrN3O3
IUPAC name(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-[2-(1-hydroxypropan-2-ylamino)ethyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight462.388
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.8
SynonymsN/A
Inchi KeyAXEVIDYKESCKDK-SMXSEESUSA-N
Inchi IDInChI=1S/C22H28BrN3O3/c1-13(12-27)24-10-11-25-20(28)18-16-6-7-17(22(16)8-9-22)19(18)21(29)26-15-4-2-14(23)3-5-15/h2-7,13,16-19,24,27H,8-12H2,1H3,(H,25,28)(H,26,29)/t13?,16-,17+,18-,19-/m1/s1
PubChem CID127035730
ChEMBLCHEMBL3728401
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
521964N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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