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Ligand

NameCHEMBL1801742
Molecular formulaC29H31N7
IUPAC name2-ethyl-5-methyl-7-(2-methylpropyl)-3-[(1S)-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine
Molecular weight477.616
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.4
SynonymsBDBM50347574
Inchi KeyAEXHTGISYTXJPO-VWLOTQADSA-N
Inchi IDInChI=1S/C29H31N7/c1-5-26-31-27-21(14-17(2)3)15-18(4)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1
PubChem CID53309405
ChEMBLCHEMBL1801742
IUPHARN/A
BindingDB50347574
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
3933Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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