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Ligand

NameCHEMBL1744083
Molecular formulaC37H46N6O2
IUPAC name1-[(3R)-2-oxo-5-(2-phenylethyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea
Molecular weight606.815
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50370213
Inchi KeyWIYQBPUJBIMONN-DHUJRADRSA-N
Inchi IDInChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1
PubChem CID11050306
ChEMBLCHEMBL1744083
IUPHARN/A
BindingDB50370213
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
374583B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
374584B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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