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Ligand

NameCHEMBL299164
Molecular formulaC34H41N7O2
IUPAC name1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]urea
Molecular weight579.749
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsD0U4SG
GTPL666
SCHEMBL7591109
BDBM50127442
compound 12 [PMID: 12723943]
[ Show all ]
Inchi KeyAIHOVEHIRAAXQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H41N7O2/c1-2-19-41-30-13-7-6-12-29(30)31(25-9-4-3-5-10-25)37-32(33(41)42)38-34(43)36-26-14-16-27(17-15-26)39-20-22-40(23-21-39)28-11-8-18-35-24-28/h6-8,11-18,24-25,32H,2-5,9-10,19-23H2,1H3,(H2,36,38,43)
PubChem CID10281725
ChEMBLCHEMBL299164
IUPHAR666
BindingDB50127442
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
6222B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
553271B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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