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Ligand

NameCHEMBL2024599
Molecular formulaC33H32N6O3
IUPAC name[1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
Molecular weight560.658
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50382769
SCHEMBL4492701
Inchi KeyBOVHPYCITWCKTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H32N6O3/c1-21-14-22(15-26-19-35-37-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)42-33(41)38-12-10-27(11-13-38)39-20-25-8-4-5-9-28(25)36-32(39)40/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,37)(H,36,40)
PubChem CID11295951
ChEMBLCHEMBL2024599
IUPHARN/A
BindingDB50382769
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
29167Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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