EcoDrugPlus


Synonyms	Sp-420
Status
Molecule Category	Free-form
UNII	WBX54NZ436


InChI Key	YASYAEVZKXPYIZ-MRXNPFEDSA-N
Smiles	COCCOCCOc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1
InChI	InChI=1S/C16H21NO6S/c1-16(15(19)20)10-24-14(17-16)12-4-3-11(9-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1

Property Name	Value
Molecular Formula	C16H21NO6S
Molecular Weight	355.41
AlogP	1.77
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	97.58
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	24.0

Mechanism of Action	Action	Reference
Iron sequestering agent	SEQUESTERING AGENT	Other Other

Resources	Reference
ChEMBL	CHEMBL1092665
DrugBank	DB16069
FDA SRS	WBX54NZ436
PubChem	135511704
SureChEMBL	SCHEMBL1314903
ZINC	ZINC000084466381

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

SP-420

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

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