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Ligand

NameSCHEMBL2683264
Molecular formulaC24H32N4O3S
IUPAC name(1R,2R,3R,4S)-3-N-(4-acetyl-1,3-thiazol-2-yl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight456.605
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
SynonymsCHEMBL3729495
Inchi KeyCQOJQYSMCQPGKR-PIKOESSRSA-N
Inchi IDInChI=1S/C24H32N4O3S/c1-15(29)18-14-32-23(26-18)27-22(31)20-17-7-6-16(24(17)8-9-24)19(20)21(30)25-10-2-3-11-28-12-4-5-13-28/h6-7,14,16-17,19-20H,2-5,8-13H2,1H3,(H,25,30)(H,26,27,31)/t16-,17+,19-,20-/m1/s1
PubChem CID87422142
ChEMBLCHEMBL3729495
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
522940N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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