SB-756050

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: F3EST236LD

Structure
InChI Key GJUFPAZNBPFNRI-UHFFFAOYSA-N
Smile COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC
InChI
InChI=1S/C21H28N2O8S2/c1-28-18-8-6-16(14-20(18)30-3)32(24,25)22-10-5-11-23(13-12-22)33(26,27)17-7-9-19(29-2)21(15-17)31-4/h6-9,14-15H,5,10-13H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28N2O8S2
Molecular Weight 500.6
AlogP 1.81
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 111.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 6.327
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.17-5.48
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Steroid-like ligand receptor
1000-1300 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4303545
FDA SRS F3EST236LD
SureChEMBL SCHEMBL4174350
ZINC ZINC000001444052
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