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Ligand

NameCHEMBL97420
Molecular formulaC26H25Cl2N3
IUPAC name5,6-dichloro-1-N,3-N-bis[2-(4-methylphenyl)ethyl]isoindole-1,3-diimine
Molecular weight450.407
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50105663
5,6-Dichloro-1,3-bis-[(Z)-2-p-tolyl-ethylimino]-2,3-dihydro-1H-isoindole
Inchi KeyIKTHKTPNPVWAMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25Cl2N3/c1-17-3-7-19(8-4-17)11-13-29-25-21-15-23(27)24(28)16-22(21)26(31-25)30-14-12-20-9-5-18(2)6-10-20/h3-10,15-16H,11-14H2,1-2H3,(H,29,30,31)
PubChem CID136110894
ChEMBLCHEMBL97420
IUPHARN/A
BindingDB50105663
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
135651C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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