EcoDrugPlus


Synonyms	O-Ethyl S,S-Diphenyl Phosphorodithioate
Molecule Category	Free-form
UNII	770M9U0F8Q
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 ...

Synonyms

O-Ethyl S,S-Diphenyl Phosphorodithioate

Molecule Category

Free-form

UNII

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	AWZOLILCOUMRDG-UHFFFAOYSA-N
Smiles	CCOP(=O)(Sc1ccccc1)Sc2ccccc2
InChI	InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

InChI Key

AWZOLILCOUMRDG-UHFFFAOYSA-N

Smiles

CCOP(=O)(Sc1ccccc1)Sc2ccccc2

InChI

InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

Property Name	Value
Molecular Formula	C14H15O2PS2
Molecular Weight	310.37
AlogP	4.64
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	86.71
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H15O2PS2

Molecular Weight

310.37

AlogP

4.64

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

86.71

Heavy Atoms

19.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Magnaporthe grisea	-	-	-	-	44.8-100

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Magnaporthe grisea

44.8-100

Resources	Reference
ChEMBL	CHEMBL1671900
FDA SRS	770M9U0F8Q
PubChem	28292
SureChEMBL	SCHEMBL20330
ZINC	ZINC02018150

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

EDIFENPHOS

Structure

Physicochemical Descriptors

Pharmacology

Cross References