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Ligand

NameCHEMBL3589840
Molecular formulaC27H30F6N2O2
IUPAC nameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Molecular weight528.539
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50097880
Inchi KeyNARPDGATCGVANV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30F6N2O2/c1-18-13-20-5-2-3-6-23(20)25(37-18)8-11-35(12-9-25)10-4-7-24(36)34-17-19-14-21(26(28,29)30)16-22(15-19)27(31,32)33/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,34,36)
PubChem CID122181145
ChEMBLCHEMBL3589840
IUPHARN/A
BindingDB50097880
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
490063C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
490064C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

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