EcoDrugPlus


Synonyms	Elubrixin tosilate Elubrixin tosylate SB-656933-AAA
Status
Molecule Category	Salt-form
UNII	13FVR7WD4P
EPA CompTox	DTXSID60242106

Synonyms

Elubrixin tosilate

Elubrixin tosylate

SB-656933-AAA

Status

Molecule Category

Salt-form

UNII

13FVR7WD4P

EPA CompTox

DTXSID60242106


InChI Key	CJAUWWGOABMMJX-UHFFFAOYSA-N
Smiles	Cc1ccc(S(=O)(=O)O)cc1.O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl
InChI	InChI=1S/C17H17Cl2FN4O4S.C7H8O3S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,21,25H,6-9H2,(H2,22,23,26);2-5H,1H3,(H,8,9,10)

InChI Key

CJAUWWGOABMMJX-UHFFFAOYSA-N

Smiles

Cc1ccc(S(=O)(=O)O)cc1.O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl

InChI

InChI=1S/C17H17Cl2FN4O4S.C7H8O3S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,21,25H,6-9H2,(H2,22,23,26);2-5H,1H3,(H,8,9,10)

Property Name	Value
Molecular Formula	C24H25Cl2FN4O7S2
Molecular Weight	635.52
AlogP	3.08
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	110.77
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C24H25Cl2FN4O7S2

Molecular Weight

635.52

AlogP

3.08

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

110.77

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL3039524
FDA SRS	13FVR7WD4P
PubChem	23634419
SureChEMBL	SCHEMBL1663270

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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...

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Last update: Monday, 3 November 2025

ELUBRIXIN TOSYLATE

Structure

Physicochemical Descriptors

Cross References