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Ligand

NameCHEMBL2018512
Molecular formulaC30H35N5O4
IUPAC name2-[(7-methyl-1H-indazol-5-yl)methyl]-4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-1-piperidin-1-ylbutane-1,4-dione
Molecular weight529.641
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50380811
SCHEMBL13052641
Inchi KeyAUTQAANXFXOHQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H35N5O4/c1-20-15-21(17-23-19-31-33-27(20)23)16-22(28(37)35-11-5-2-6-12-35)18-26(36)34-13-9-30(10-14-34)24-7-3-4-8-25(24)32-29(38)39-30/h3-4,7-8,15,17,19,22H,2,5-6,9-14,16,18H2,1H3,(H,31,33)(H,32,38)
PubChem CID24756768
ChEMBLCHEMBL2018512
IUPHARN/A
BindingDB50380811
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
14984Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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