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Ligand

NameCHEMBL96138
Molecular formulaC26H26N4O
IUPAC nameN-[1,3-bis[(4-methylphenyl)methylimino]isoindol-5-yl]acetamide
Molecular weight410.521
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.2
SynonymsN-{3-[(E)-4-Methyl-benzylimino]-1-[(Z)-4-methyl-benzylimino]-2,3-dihydro-1H-isoindol-5-yl}-acetamide
BDBM50105664
N,N'-Bis(4-methylbenzyl)-5-(acetylamino)isoindoline-1,3-diimine
Inchi KeyLHOJPONVWDSHCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O/c1-17-4-8-20(9-5-17)15-27-25-23-13-12-22(29-19(3)31)14-24(23)26(30-25)28-16-21-10-6-18(2)7-11-21/h4-14H,15-16H2,1-3H3,(H,29,31)(H,27,28,30)
PubChem CID136110895
ChEMBLCHEMBL96138
IUPHARN/A
BindingDB50105664
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
187703C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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