EcoDrugPlus


Synonyms	Odiparcil
Status
Molecule Category	Free-form
UNII	FIK1414ZI8
EPA CompTox	DTXSID4057639

Synonyms

Odiparcil

Status

Molecule Category

Free-form

UNII

FIK1414ZI8

EPA CompTox

DTXSID4057639


InChI Key	JRHNIQQUVJOPQC-AQNFWKISSA-N
Smiles	Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChI	InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1

InChI Key

JRHNIQQUVJOPQC-AQNFWKISSA-N

Smiles

Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12

InChI

InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1

Property Name	Value
Molecular Formula	C15H16O6S
Molecular Weight	324.35
AlogP	0.64
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	100.13
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C15H16O6S

Molecular Weight

324.35

AlogP

0.64

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

100.13

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

22.0

Mechanism of Action	Action	Reference
Glycosaminoglycans modulator	MODULATOR	PubMed

Mechanism of Action

Action

Reference

Glycosaminoglycans modulator

MODULATOR

PubMed

Resources	Reference
ChEMBL	CHEMBL2107763
DrugBank	DB06609
FDA SRS	FIK1414ZI8
PubChem	216385
SureChEMBL	SCHEMBL4515803
ZINC	ZINC000031597280

Resources

Reference

ChEMBL

DrugBank

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

ODIPARCIL

Structure

Physicochemical Descriptors

Pharmacology

Cross References