EBSELEN


Synonyms	DR-3305 DR3305 Ebselen NSC-639762 NSC-757883 SPI-1005
Status
Molecule Category	Free-form
UNII	40X2P7DPGH
EPA CompTox	DTXSID7045150

Structure


InChI Key	DYEFUKCXAQOFHX-UHFFFAOYSA-N
Smiles	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

Pharmacology

Mechanism of Action	Action	Reference
Antioxidant	None	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	17.2	-	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	-	-	-	-	0-0
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family	-	-	-	-	0
Enzyme Kinase Protein Kinase Other protein kinase group	-	-	-	-	0-0
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	-	-	-	-	0-0
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 FGFR 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 InsR family	-	-	-	-	0-0
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	-	-	-	-	0-0
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family	-	-	-	-	0-0
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	-	0-830	-	94-94	95-97
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily	-	-	-	-	10.42
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family	-	110-420	-	-	-
Enzyme	-	0-830	-	94-94	0-0
Epigenetic regulator Writer Protein methyltransferase	-	400-730	-	-	-
Other cytosolic protein	-	-	-	-	0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Aspergillus fumigatus	-	-	-	220	-
Bacteria	-	380	-	-	-
Candida albicans	-	14.3-72.6	-	-	-
Clostridium difficile	-	17.2	-	-	-
Escherichia coli	-	-	140	380	-
Helicobacter pylori	-	-	-	226	-
Homo sapiens	-	0-830	-	94-570	0-88
Rattus norvegicus	-	-	-	-	-93.6-47.5
Severe acute respiratory syndrome coronavirus 2	-	330-670	-	-	65-91
Sporosarcina pasteurii	-	-	-	2.11	-
Trypanosoma brucei	-	50-620	-	-	-

Cross References

Resources	Reference
ChEBI	77543
ChEMBL	CHEMBL51085
DrugBank	DB12610
FDA SRS	40X2P7DPGH
Guide to Pharmacology	10583
PubChem	3194
SureChEMBL	SCHEMBL33829

CONTENTS