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Ligand

NameCHEMBL350697
Molecular formulaC27H26N4O3S2
IUPAC name2-[[4-[[3-(phenylsulfanylmethyl)-5-propylsulfanyl-1,2,4-triazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid
Molecular weight518.65
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.2
SynonymsSCHEMBL9402338
BDBM50047867
N-[4-(3-Phenylsulfanylmethyl-5-propylsulfanyl-[1,2,4]triazol-4-ylmethyl)-phenyl]-phthalamic acid
Inchi KeyAFPHKCUEOXGHBP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N4O3S2/c1-2-16-35-27-30-29-24(18-36-21-8-4-3-5-9-21)31(27)17-19-12-14-20(15-13-19)28-25(32)22-10-6-7-11-23(22)26(33)34/h3-15H,2,16-18H2,1H3,(H,28,32)(H,33,34)
PubChem CID10481742
ChEMBLCHEMBL350697
IUPHARN/A
BindingDB50047867
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
4375Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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