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Ligand

NameCHEMBL239396
Molecular formulaC21H30N2O5S3
IUPAC namebutyl N-[3-[5-[[acetyl(methyl)amino]methyl]thiophen-3-yl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight486.66
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50221310
N-butyloxycarbonyl-3-[2-(N-acetyl-N-methylaminomethyl)thiophen-4-yl]-5-iso-butylthiophene-2-sulfonamide
Inchi KeyCNKVSIPOWPSTMU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30N2O5S3/c1-6-7-8-28-21(25)22-31(26,27)20-19(11-17(30-20)9-14(2)3)16-10-18(29-13-16)12-23(5)15(4)24/h10-11,13-14H,6-9,12H2,1-5H3,(H,22,25)
PubChem CID44438000
ChEMBLCHEMBL239396
IUPHARN/A
BindingDB50221310
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46122Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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