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Ligand

NameCHEMBL247482
Molecular formulaC33H37N3O5S2
IUPAC namebutyl N-[3-[4-[[benzoyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular weight619.795
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP7.0
SynonymsSCHEMBL6820503
BDBM50221305
N-butyloxycarbonyl-3-{4-[N-(pyridin-3-ylmethyl)-benzylamidomethyl]phenyl}-5-iso-butylthiophene-2-sulfonamide
Inchi KeyILERKHOBRVOFBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H37N3O5S2/c1-4-5-18-41-33(38)35-43(39,40)32-30(20-29(42-32)19-24(2)3)27-15-13-25(14-16-27)22-36(23-26-10-9-17-34-21-26)31(37)28-11-7-6-8-12-28/h6-17,20-21,24H,4-5,18-19,22-23H2,1-3H3,(H,35,38)
PubChem CID11157855
ChEMBLCHEMBL247482
IUPHARN/A
BindingDB50221305
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
135921Type-1A angiotensin II receptorP25095Agtr1Rattus norvegicus (Rat)359

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