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Ligand

NameCHEMBL429099
Molecular formulaC31H34N6O
IUPAC name3-benzyl-5-cyclohexyl-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-8-methyl-1,3,4-benzotriazepin-2-one
Molecular weight506.654
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50002927
Inchi KeyAEMYRYZUVIOIJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H34N6O/c1-22-12-17-27-28(20-22)37(26-15-13-25(14-16-26)34-30-32-18-19-33-30)31(38)36(21-23-8-4-2-5-9-23)35-29(27)24-10-6-3-7-11-24/h2,4-5,8-9,12-17,20,24H,3,6-7,10-11,18-19,21H2,1H3,(H2,32,33,34)
PubChem CID23626402
ChEMBLCHEMBL429099
IUPHARN/A
BindingDB50002927
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
3649Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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