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Ligand

NameCHEMBL118544
Molecular formulaC36H45N3O6S
IUPAC name(4-nitrophenyl)methyl N-[1-[5-(benzenesulfonyl)-3,5-dimethyl-3-phenylhexyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Molecular weight647.831
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP7.2
SynonymsAC1LA89C
BDBM50148681
(4-nitrophenyl)methyl N-[1-[5-(benzenesulfonyl)-3,5-dimethyl-3-phenylhexyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Allyl-[1-(5-benzenesulfonyl-3,5-dimethyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester
Allyl-[1-(5-benzenesulfonyl-3,5-dimethyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid, 4-nitro-benzyl ester
[ Show all ]
Inchi KeyAMVRDBMMKMRVFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H45N3O6S/c1-5-23-38(34(40)45-27-29-16-18-32(19-17-29)39(41)42)31-20-24-37(25-21-31)26-22-36(4,30-12-8-6-9-13-30)28-35(2,3)46(43,44)33-14-10-7-11-15-33/h5-19,31H,1,20-28H2,2-4H3
PubChem CID483356
ChEMBLCHEMBL118544
IUPHARN/A
BindingDB50148681
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9299C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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