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	WSPJHIYUYPWFLW-UHFFFAOYSA-N
Smiles	Cc1cc2c(SC(=NS2(=O)=O)C(=O)c3ccc(F)cc3)cc1Cl
InChI	InChI=1S/C15H9ClFNO3S2/c1-8-6-13-12(7-11(8)16)22-15(18-23(13,20)21)14(19)9-2-4-10(17)5-3-9/h2-7H,1H3

InChI Key

WSPJHIYUYPWFLW-UHFFFAOYSA-N

Smiles

Cc1cc2c(SC(=NS2(=O)=O)C(=O)c3ccc(F)cc3)cc1Cl

InChI

InChI=1S/C15H9ClFNO3S2/c1-8-6-13-12(7-11(8)16)22-15(18-23(13,20)21)14(19)9-2-4-10(17)5-3-9/h2-7H,1H3

Property Name	Value
Molecular Formula	C15H9ClFNO3S2
Molecular Weight	369.82
AlogP	4.64
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	2.0
Polar Surface Area	97.25
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C15H9ClFNO3S2

Molecular Weight

369.82

AlogP

4.64

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

2.0

Polar Surface Area

97.25

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

23.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	42000	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Hydrolase

42000

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human immunodeficiency virus 1	-	42000	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Human immunodeficiency virus 1

42000

Resources	Reference
ChEMBL	CHEMBL2297146
PubChem	405935

Resources

Reference

ChEMBL

CHEMBL2297146

PubChem

405935

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

(6-CHLORO-7-METHYL-1,1-DIOXO-1H-1LAMBDA6-BENZO[1,4,2]DITHIAZIN-3-YL)-(4-FLUORO-PHENYL)-METHANONE

Structure

Physicochemical Descriptors

Pharmacology

Cross References

(6-CHLORO-7-METHYL-1,1-DIOXO-1H-1LAMBDA*6*-BENZO[1,4,2]DITHIAZIN-3-YL)-(4-FLUORO-PHENYL)-METHANONE

Structure

Physicochemical Descriptors

Pharmacology

Cross References

(6-CHLORO-7-METHYL-1,1-DIOXO-1H-1LAMBDA6-BENZO[1,4,2]DITHIAZIN-3-YL)-(4-FLUORO-PHENYL)-METHANONE