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Ligand

NameSCHEMBL2681632
Molecular formulaC25H35N5O3S
IUPAC name(1R,2R,3R,4S)-3-N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-2-N-[3-(4-methylpiperazin-1-yl)propyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
Molecular weight485.647
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.1
SynonymsCHEMBL3728337
Inchi KeyBDECQJVADYPISL-GMQQQROESA-N
Inchi IDInChI=1S/C25H35N5O3S/c1-16(31)19-15-34-20(28-19)14-27-24(33)22-18-5-4-17(25(18)6-7-25)21(22)23(32)26-8-3-9-30-12-10-29(2)11-13-30/h4-5,15,17-18,21-22H,3,6-14H2,1-2H3,(H,26,32)(H,27,33)/t17-,18+,21-,22-/m1/s1
PubChem CID67495059
ChEMBLCHEMBL3728337
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
522068N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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