TEDALINAB

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Synonyms
Status
Molecule Category Free-form
UNII 5R7X34Y6Q1

Structure

InChI Key NTPZXHMTJGOMCJ-WDEREUQCSA-N
Smiles CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1[C@H]1CC[C@@H]2C1
InChI
InChI=1S/C19H21F2N3O/c1-19(2,3)22-18(25)16-15-10-4-5-11(8-10)17(15)24(23-16)14-7-6-12(20)9-13(14)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,25)/t10-,11+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21F2N3O
Molecular Weight 345.39
AlogP 4.04
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 46.92
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Cannabinoid CB2 receptor agonist AGONIST PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
0.61-854 - - 11.8-985.2 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.61-854 - - 11.8-985.2 -
Rattus norvegicus
- - - 12 -

Target Conservation

Protein: Cannabinoid CB2 receptor
Description: Cannabinoid receptor 2
Organism : Homo sapiens
P34972 ENSG00000188822

Cross References

Resources Reference
ChEMBL CHEMBL3234681
FDA SRS 5R7X34Y6Q1
PubChem 67029278
SureChEMBL SCHEMBL1431320
ZINC ZINC000072266313
CONTENTS