EcoDrugPlus


Molecule Category	Free-form
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Molecule Category

Free-form

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	VAAQVNLOVVETBA-UHFFFAOYSA-N
Smiles	CCC1(C)Oc2ccc(O)cc2C3=C1[Se]N=N3
InChI	InChI=1S/C12H12N2O2Se/c1-3-12(2)11-10(13-14-17-11)8-6-7(15)4-5-9(8)16-12/h4-6,15H,3H2,1-2H3

InChI Key

VAAQVNLOVVETBA-UHFFFAOYSA-N

Smiles

CCC1(C)Oc2ccc(O)cc2C3=C1[Se]N=N3

InChI

InChI=1S/C12H12N2O2Se/c1-3-12(2)11-10(13-14-17-11)8-6-7(15)4-5-9(8)16-12/h4-6,15H,3H2,1-2H3

Property Name	Value
Molecular Formula	C12H12N2O2Se
Molecular Weight	295.2

Property Name

Value

Molecular Formula

C12H12N2O2Se

Molecular Weight

295.2

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Chlorocebus aethiops	-	60000	-	-	-
Homo sapiens	-	50000-60000	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Chlorocebus aethiops

60000

Homo sapiens

50000-60000

Resources	Reference
ChEMBL	CHEMBL2297427
PubChem	71722066

Resources

Reference

ChEMBL

CHEMBL2297427

PubChem

71722066

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-ETHYL-8-HYDROXY-4-METHYLBENZOPYRANO[4,3-D](1,2,3)SELENADIAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References