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Ligand

NameCHEMBL3589841
Molecular formulaC27H30F6N2O3
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Molecular weight544.538
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50097881
Inchi KeyWZOIMSRGGIDWKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30F6N2O3/c1-37-22-4-5-23-19(15-22)6-12-38-25(23)7-10-35(11-8-25)9-2-3-24(36)34-17-18-13-20(26(28,29)30)16-21(14-18)27(31,32)33/h4-5,13-16H,2-3,6-12,17H2,1H3,(H,34,36)
PubChem CID122181146
ChEMBLCHEMBL3589841
IUPHARN/A
BindingDB50097881
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
510590C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373
510591C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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