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Ligand

NameCHEMBL2018513
Molecular formulaC31H38N6O3
IUPAC name2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-piperidin-1-ylbutane-1,4-dione
Molecular weight542.684
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50380815
SCHEMBL3607210
Inchi KeyCQCUUUUUBQFHBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H38N6O3/c1-21-15-22(17-25-19-32-34-29(21)25)16-24(30(39)36-11-5-2-6-12-36)18-28(38)35-13-9-26(10-14-35)37-20-23-7-3-4-8-27(23)33-31(37)40/h3-4,7-8,15,17,19,24,26H,2,5-6,9-14,16,18,20H2,1H3,(H,32,34)(H,33,40)
PubChem CID21102038
ChEMBLCHEMBL2018513
IUPHARN/A
BindingDB50380815
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47936Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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