Structure

InChI Key DYEFUKCXAQOFHX-UHFFFAOYSA-N
Smile O=c1c2ccccc2[se]n1-c1ccccc1
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H9NOSe
Molecular Weight 274.18
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
None Antioxidant PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 3690-69000 - 226 -
Enzyme Isomerase
- 14 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- - - - 22
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 25
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - - - 0
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - - - 0
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- - - - 0
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - - - 0
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- - - - 0
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- - - - 0
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - - - 0
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - - - 0
Enzyme Kinase Protein Kinase Other protein kinase group
- - - - 0
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fak family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - - - 0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- - - - 0
Enzyme Oxidoreductase
- 690-830 3600-4600 94-94 95-97
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
- 2430 - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 110-2200 - - -
Enzyme
- 690-830 3600-4600 94-94 2-88
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 3400 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 1200-11500 - - -
Epigenetic regulator Writer Protein methyltransferase
- 400 - - -
Other cytosolic protein
- - - - 0
Unclassified protein
- - - 12000-63000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Meniere Disease 3 D008575 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Ototoxicity 2 D000081015 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Hearing Loss 2 D034381 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 60940-34-3
ChEBI 77543
ChEMBL CHEMBL51085
DrugBank DB12610
EPA CompTox DTXSID7045150
FDA SRS 40X2P7DPGH
Guide to Pharmacology 10583
PubChem 3194
SureChEMBL SCHEMBL33829