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Ligand

NameCHEMBL3588870
Molecular formulaC33H33F7N2O3
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Molecular weight638.627
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP6.6
SynonymsBDBM50097892
Inchi KeyADRICAJEEHMWMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H33F7N2O3/c1-44-27-6-7-29-23(18-27)9-15-45-31(29)10-13-42(14-11-31)12-8-28(22-2-4-26(34)5-3-22)30(43)41-20-21-16-24(32(35,36)37)19-25(17-21)33(38,39)40/h2-7,16-19,28H,8-15,20H2,1H3,(H,41,43)
PubChem CID122181152
ChEMBLCHEMBL3588870
IUPHARN/A
BindingDB50097892
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463237C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
463238C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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