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Ligand

NameCHEMBL338434
Molecular formulaC36H41F4N5O6S
IUPAC nametert-butyl N-[2-[4-[[3-butyl-5-oxo-1-[5-(pentanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate
Molecular weight747.807
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP7.3
SynonymsSCHEMBL9399146
AADDKLKFCNPPIE-UHFFFAOYSA-N
4-[[2'-[N-(t-Butoxycarbonyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-5-n-butyl-2,4-dihydro-2-[2-(trifluoromethyl)-5-(valerylamino)phenyl]-3H-1,2,4-triazol-3-one
BDBM50030709
Pentanoic acid {3-[3-butyl-4-(3-fluoro-2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-phenyl}-amide
Inchi KeyAADDKLKFCNPPIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
PubChem CID10032988
ChEMBLCHEMBL338434
IUPHARN/A
BindingDB50030709
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
101Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
102Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359
103Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363
104Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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