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Ligand

NameCHEMBL298158
Molecular formulaC35H42N6O2
IUPAC name1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]urea
Molecular weight578.761
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.5
SynonymsBDBM50127444
1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(4-phenyl-piperazin-1-yl)-phenyl]-urea
Inchi KeyCLXUEGHSINIKNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H42N6O2/c1-2-21-41-31-16-10-9-15-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-17-19-29(20-18-27)40-24-22-39(23-25-40)28-13-7-4-8-14-28/h4,7-10,13-20,26,33H,2-3,5-6,11-12,21-25H2,1H3,(H2,36,38,43)
PubChem CID10940858
ChEMBLCHEMBL298158
IUPHARN/A
BindingDB50127444
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
45091B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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