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Ligand

NameCHEMBL1788318
Molecular formulaC35H48N6O2
IUPAC name1-[(3S)-5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea
Molecular weight584.809
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50370214
Inchi KeyBGQKMAPKUALMFZ-MGBGTMOVSA-N
Inchi IDInChI=1S/C35H48N6O2/c1-2-21-41-31-14-8-7-13-30(31)32(26-11-5-3-6-12-26)37-33(34(41)42)38-35(43)36-27-15-17-28(18-16-27)40-24-19-29(20-25-40)39-22-9-4-10-23-39/h7-8,13-18,26,29,33H,2-6,9-12,19-25H2,1H3,(H2,36,38,43)/t33-/m1/s1
PubChem CID10875606
ChEMBLCHEMBL1788318
IUPHARN/A
BindingDB50370214
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
23320B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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