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Ligand

NameCHEMBL3589845
Molecular formulaC32H31F7N2O2
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
Molecular weight608.601
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.7
SynonymsN-[3,5-Bis(trifluoromethyl)benzyl]-2-(4-fluorophenyl)-4-(3,4-dihydrospiro[1H-2-benzopyran-1,4'-piperidine]-1'-yl)butanamide
BDBM50097887
Inchi KeyQHHGOEMDEWUDCB-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H31F7N2O2/c33-26-7-5-22(6-8-26)27(29(42)40-20-21-17-24(31(34,35)36)19-25(18-21)32(37,38)39)9-13-41-14-11-30(12-15-41)28-4-2-1-3-23(28)10-16-43-30/h1-8,17-19,27H,9-16,20H2,(H,40,42)
PubChem CID122181150
ChEMBLCHEMBL3589845
IUPHARN/A
BindingDB50097887
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
497352C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
497353C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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