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Ligand

NameCHEMBL328602
Molecular formulaC41H46N6O6S
IUPAC name3-methylbutyl N-[2-[4-[[4-ethyl-2-propyl-5-[3-[pyridine-3-carbonyl(pyridin-3-yl)amino]propanoyl]imidazol-1-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight750.915
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.6
SynonymsN-[3-[1-[[2'-[[(Isopentyloxycarbonyl)amino]sulfonyl]-1,1'-biphenyl-4-yl]methyl]-4-ethyl-2-propyl-1H-imidazol-5-yl]-3-oxopropyl]-N-(3-pyridyl)pyridine-3-carboxamide
SCHEMBL244668
BDBM50032357
isopentyloxy 2-[2-(4-{4-ethyl-5-[3-[3-pyridyl(3-pyridyl)carboxamidopropanoyl]-2-propyl-1H-1-imidazolylmethyl}-3-phenyl)phenylsulfonyl]caboxamido
Inchi KeyAKWIQXGPKTWFNO-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H46N6O6S/c1-5-11-38-44-35(6-2)39(36(48)20-24-46(33-13-10-23-43-27-33)40(49)32-12-9-22-42-26-32)47(38)28-30-16-18-31(19-17-30)34-14-7-8-15-37(34)54(51,52)45-41(50)53-25-21-29(3)4/h7-10,12-19,22-23,26-27,29H,5-6,11,20-21,24-25,28H2,1-4H3,(H,45,50)
PubChem CID10033013
ChEMBLCHEMBL328602
IUPHARN/A
BindingDB50032357
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
7959Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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