Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4521NR0J09

Structure

InChI Key LAMQVIQMVKWXOC-UHFFFAOYSA-N
Smile Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1
InChI
InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24N6O2S2
Molecular Weight 516.65
AlogP 4.97
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 84.65
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR NAD-dependent deacetylase sirtuin 1 activator PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Sepsis 1 D018805 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 1 D029424 ClinicalTrials
Muscular Atrophy 1 D009133 ClinicalTrials
Atrophy 1 D001284 ClinicalTrials
Colitis, Ulcerative 1 D003093 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297436
DrugBank DB12186
EPA CompTox DTXSID00648729
FDA SRS 4521NR0J09
Guide to Pharmacology 9515
PubChem 25108829
SureChEMBL SCHEMBL964014
ZINC ZINC000043202455