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Ligand

NameCHEMBL3355949
Molecular formulaC25H29FN2O2S
IUPAC name2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole-6-carboxylic acid
Molecular weight440.577
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50041189
Inchi KeyYMDBLLFLWGQRTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29FN2O2S/c1-2-22-24(21-9-4-18(25(29)30)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-31-20-7-5-19(26)6-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3,(H,29,30)
PubChem CID118721199
ChEMBLCHEMBL3355949
IUPHARN/A
BindingDB50041189
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
458103C-C chemokine receptor type 3O54814Ccr3Rattus norvegicus (Rat)359
458104C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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