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Ligand

NameCHEMBL505263
Molecular formulaC35H39F3N6O2
IUPAC name(7S)-7-butan-2-yl-6-oxo-2-(2-piperidin-1-ylethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
Molecular weight632.732
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.4
SynonymsN/A
Inchi KeyFAYLESWWEBZCNO-NMBPHSMGSA-N
Inchi IDInChI=1S/C35H39F3N6O2/c1-3-22(2)31-34(46)42-28-12-11-26(39-14-17-43-15-5-4-6-16-43)20-27(28)32-41-29-19-24(10-13-30(29)44(31)32)33(45)40-21-23-8-7-9-25(18-23)35(36,37)38/h7-13,18-20,22,31,39H,3-6,14-17,21H2,1-2H3,(H,40,45)(H,42,46)/t22?,31-/m0/s1
PubChem CID136036261
ChEMBLCHEMBL505263
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
559597Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
559596Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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