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Ligand

NameCHEMBL96477
Molecular formulaC19H20ClN3
IUPAC name3-N-[2-(4-chlorophenyl)ethyl]-1-N-propan-2-ylisoindole-1,3-diimine
Molecular weight325.84
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50105656
N-Isopropyl-N'-(4-chlorophenethyl)isoindoline-1,3-diimine
1-[(Z)-2-(4-Chloro-phenyl)-ethylimino]-3-[(Z)-isopropylimino]-2,3-dihydro-1H-isoindole
Inchi KeyGNARPECAOHHEJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20ClN3/c1-13(2)22-19-17-6-4-3-5-16(17)18(23-19)21-12-11-14-7-9-15(20)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,22,23)
PubChem CID136110888
ChEMBLCHEMBL96477
IUPHARN/A
BindingDB50105656
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
100407C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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