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Ligand

NameCHEMBL1253497
Molecular formulaC36H39N7O2
IUPAC name1-[(3R)-2-oxo-5-(2-phenylethyl)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea
Molecular weight601.755
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50326709
SCHEMBL3049609
(R)-1-(2-oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-(4-(pyridin-4-yl)piperazin-1-yl)phenyl)urea
Inchi KeyVLIFIGMDNURHMV-UMSFTDKQSA-N
Inchi IDInChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)/t34-/m0/s1
PubChem CID10031511
ChEMBLCHEMBL1253497
IUPHARN/A
BindingDB50326709
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
357883B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
357884B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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