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Ligand

NameCHEMBL2205712
Molecular formulaC18H24BrN
IUPAC nameN-[(4-bromophenyl)methyl]-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
Molecular weight334.301
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50400963
Inchi KeyBGMZTQKGOMILFX-RDJZCZTQSA-N
Inchi IDInChI=1S/C18H24BrN/c1-18(2)15-7-6-14(17(18)10-15)12-20(3)11-13-4-8-16(19)9-5-13/h4-6,8-9,15,17H,7,10-12H2,1-3H3/t15-,17-/m0/s1
PubChem CID71455889
ChEMBLCHEMBL2205712
IUPHARN/A
BindingDB50400963
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
23152C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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