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Ligand

NameCHEMBL503688
Molecular formulaC33H38N6O2
IUPAC name(7S)-2-(benzylamino)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
Molecular weight550.707
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.1
SynonymsN/A
Inchi KeyPKXKCWSYPLCFKQ-PMERELPUSA-N
Inchi IDInChI=1S/C33H38N6O2/c1-21(2)30-32(40)36-27-12-11-24(34-20-22-8-6-5-7-9-22)19-26(27)31-35-28-18-23(10-13-29(28)39(30)31)33(41)38(4)25-14-16-37(3)17-15-25/h5-13,18-19,21,25,30,34H,14-17,20H2,1-4H3,(H,36,40)/t30-/m0/s1
PubChem CID136036259
ChEMBLCHEMBL503688
IUPHARN/A
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
565428Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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