ATX08-001

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII V5Q32BZX79

Structure

InChI Key UYGZODVVDUIDDQ-UHFFFAOYSA-N
Smiles CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1
InChI
InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23Cl2N3O3S
Molecular Weight 468.41
AlogP 4.95
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 81.06
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor gamma modulator MODULATOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
163 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
163 - - - -

Target Conservation

Protein: Peroxisome proliferator-activated receptor gamma
Description: Peroxisome proliferator-activated receptor gamma
Organism : Homo sapiens
P37231 ENSG00000132170

Cross References

Resources Reference
ChEMBL CHEMBL3545278
DrugBank DB12557
FDA SRS V5Q32BZX79
SureChEMBL SCHEMBL682052
CONTENTS