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Ligand

NameCHEMBL398779
Molecular formulaC23H27N7O3
IUPAC name4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-pyridin-2-ylazepan-3-yl]piperidine-1-carboxamide
Molecular weight449.515
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.5
SynonymsBDBM50224416
4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-N-[(3R)-2-oxo-6-pyridin-2-ylazepan-3-yl]piperidine-1-carboxamide
Inchi KeyDFQNEGLXPXMOFS-KPMSDPLLSA-N
Inchi IDInChI=1S/C23H27N7O3/c31-21-18(7-6-15(14-26-21)17-4-1-2-10-24-17)27-22(32)29-12-8-16(9-13-29)30-19-5-3-11-25-20(19)28-23(30)33/h1-5,10-11,15-16,18H,6-9,12-14H2,(H,26,31)(H,27,32)(H,25,28,33)/t15?,18-/m1/s1
PubChem CID23656586
ChEMBLCHEMBL398779
IUPHARN/A
BindingDB50224416
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
58796Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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