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Ligand

NameCHEMBL463274
Molecular formulaC32H42N6O2
IUPAC name(7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one
Molecular weight542.728
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.5
SynonymsGTPL5530
compound 2 [PMID: 19230660]
Inchi KeyMZUNJRMUTJBHGB-LJAQVGFWSA-N
Inchi IDInChI=1S/C32H42N6O2/c1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/h11-14,19-21,23,29,33H,4-10,15-18H2,1-3H3,(H,35,39)/t29-/m0/s1
PubChem CID135407952
ChEMBLCHEMBL463274
IUPHAR5530
BindingDBN/A
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
564173Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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