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Ligand

NameCHEMBL502132
Molecular formulaC33H37F3N6O2
IUPAC name(7S)-7-butan-2-yl-2-[3-(dimethylamino)propylamino]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
Molecular weight606.694
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.9
SynonymsN/A
Inchi KeyFNLDJFVOPARNLY-PRTIIRGTSA-N
Inchi IDInChI=1S/C33H37F3N6O2/c1-5-20(2)29-32(44)40-26-12-11-24(37-14-7-15-41(3)4)18-25(26)30-39-27-17-22(10-13-28(27)42(29)30)31(43)38-19-21-8-6-9-23(16-21)33(34,35)36/h6,8-13,16-18,20,29,37H,5,7,14-15,19H2,1-4H3,(H,38,43)(H,40,44)/t20?,29-/m0/s1
PubChem CID135407930
ChEMBLCHEMBL502132
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
559864Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
559863Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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