ATX08-001

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: V5Q32BZX79

Structure
InChI Key UYGZODVVDUIDDQ-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
MODULATOR Peroxisome proliferator-activated receptor gamma 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 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 2 D003920 ClinicalTrials
Neuralgia, Postherpetic 2 D051474 ClinicalTrials

Related Entries

Scaffolds

Cross References

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