RIGOSERTIB

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Search structure


Synonyms	ON 01910 Rigosertib
Status
Molecule Category	Free-form
UNII	67DOW7F9GL
EPA CompTox	DTXSID30207984

Structure


InChI Key	OWBFCJROIKNMGD-BQYQJAHWSA-N
Smiles	COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1
InChI	InChI=1S/C21H25NO8S/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)/b8-7+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H25NO8S
Molecular Weight	451.5
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

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family	-	9	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	7.5-75	-	-	-

Cross References

Resources	Reference
ChEBI	145417
ChEMBL	CHEMBL1241855
DrugBank	DB12146
FDA SRS	67DOW7F9GL
Guide to Pharmacology	7833
PDB	6FS
PubChem	6918736
SureChEMBL	SCHEMBL498623
ZINC	ZINC000003942646

CONTENTS

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