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Ligand

NameCHEMBL64322
Molecular formulaC33H39IN2O2
IUPAC namedimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium;iodide
Molecular weight622.591
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsN,N-dimethyl-N-(4-((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)aminobenzyl)-N-(4-tetrahydropyranyl)ammonium iodide
AYXBAIULRDEVAS-UHFFFAOYSA-N
D0E4YP
SB 227122
N,N-dimethyl-N-(4-((2-(4-methylphenyl)-6,7-dihydro-5 H-benzocyclohepten-8-yl)carbonyl)aminobenzyl)-N-(4-tetrahydropyranyl)ammonium iodide
[ Show all ]
Inchi KeyAYXBAIULRDEVAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38N2O2.HI/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H
PubChem CID9873888
ChEMBLCHEMBL64322
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
17864C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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