EcoDrugPlus


Synonyms	Estybon ON 01910 SODIUM ON 01910.NA ON-01910 ON-01910 SODIUM ON-01910.NA ON01910 SODIUM On-01910.na Rigosertib sodium SYB C-1101
Status
Molecule Category	Salt-form
UNII	406FL5G00V
Parent Compound:	RIGOSERTIB

Synonyms

Estybon

ON 01910 SODIUM

ON 01910.NA

ON-01910

ON-01910 SODIUM

ON-01910.NA

ON01910 SODIUM

On-01910.na

Rigosertib sodium

SYB C-1101

Status

Molecule Category

Salt-form

UNII

406FL5G00V

Parent Compound:

RIGOSERTIB


InChI Key	VLQLUZFVFXYXQE-USRGLUTNSA-M
Smiles	COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)[O-])c2)c(OC)c1.[Na+]
InChI	InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;

InChI Key

VLQLUZFVFXYXQE-USRGLUTNSA-M

Smiles

COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)[O-])c2)c(OC)c1.[Na+]

InChI

InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;

Property Name	Value
Molecular Formula	C21H24NNaO8S
Molecular Weight	473.48
AlogP	2.8
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	120.39
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C21H24NNaO8S

Molecular Weight

473.48

AlogP

2.8

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

120.39

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

31.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	10-170	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

10-170

Resources	Reference
ChEBI	145421
ChEMBL	CHEMBL2013119
FDA SRS	406FL5G00V
PubChem	23696523
SureChEMBL	SCHEMBL498729

Resources

Reference

ChEBI

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

RIGOSERTIB SODIUM

Structure

Physicochemical Descriptors

Pharmacology

Cross References