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Ligand

NameCHEMBL99041
Molecular formulaC23H25N3O4
IUPAC name2-[3-[[3-[(E)-(phenylcarbamoylhydrazinylidene)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetic acid
Molecular weight407.47
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50010074
L003911
[3-(5-oxabicyclo[2.2.1],3-formaldehyde(anilinocarbonyl)hydrazonehept-2-ylmethyl)phenyl]acetic acid
Inchi KeyAGZOJGNFCHGAFI-ZVHZXABRSA-N
Inchi IDInChI=1S/C23H25N3O4/c27-22(28)13-16-6-4-5-15(11-16)12-18-19(21-10-9-20(18)30-21)14-24-26-23(29)25-17-7-2-1-3-8-17/h1-8,11,14,18-21H,9-10,12-13H2,(H,27,28)(H2,25,26,29)/b24-14+
PubChem CID44209494
ChEMBLCHEMBL99041
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5359Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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