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Ligand

NameCHEMBL322439
Molecular formulaC29H34N6O6
IUPAC name(4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Molecular weight562.627
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.7
SynonymsAllyl-{1-[4-(4-nitro-imidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid, 4-nitro-benzyl ester
(4-nitrophenyl)methyl N-allyl-N-[1-[4-(4-nitroimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamate
AC1LA87O
BDBM50106942
(4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
[ Show all ]
Inchi KeyAPUITEDEUGQVAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N6O6/c1-2-15-33(29(36)41-21-23-8-10-27(11-9-23)34(37)38)26-13-17-31(18-14-26)16-12-25(24-6-4-3-5-7-24)19-32-20-28(30-22-32)35(39)40/h2-11,20,22,25-26H,1,12-19,21H2
PubChem CID483336
ChEMBLCHEMBL322439
IUPHARN/A
BindingDB50106942
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11382C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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