EcoDrugPlus


Synonyms	Emeramide
Status
Molecule Category	Free-form
UNII	4U7K5X4ANS
EPA CompTox	DTXSID10610932


InChI Key	JUTBAVRYDAKVGQ-UHFFFAOYSA-N
Smiles	O=C(NCCS)c1cccc(C(=O)NCCS)c1
InChI	InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)

Property Name	Value
Molecular Formula	C12H16N2O2S2
Molecular Weight	284.41
AlogP	1.01
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	58.2
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	18.0

Mechanism of Action	Action	Reference
Antioxidant and metal chelator	None	ClinicalTrials

Resources	Reference
ChEMBL	CHEMBL4297510
DrugBank	DB12192
FDA SRS	4U7K5X4ANS
PubChem	21133161
SureChEMBL	SCHEMBL3077248

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

EMERAMIDE

Structure

Physicochemical Descriptors

Pharmacology

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