EcoDrugPlus


Synonyms	Dasabuvir sodium Dasabuvir sodium anhydrous
Status
Molecule Category	Salt-form
UNII	OG6D40M62L

Synonyms

Dasabuvir sodium

Dasabuvir sodium anhydrous

Status

Molecule Category

Salt-form

UNII

OG6D40M62L


InChI Key	SJHKKWUESHNTBB-UHFFFAOYSA-M
Smiles	COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[n-]c2=O)cc1C(C)(C)C.O.[Na+]
InChI	InChI=1S/C26H27N3O5S.Na.H2O/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;;/h6-15,28H,1-5H3,(H,27,30,31);;1H2/q;+1;/p-1

InChI Key

SJHKKWUESHNTBB-UHFFFAOYSA-M

Smiles

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[n-]c2=O)cc1C(C)(C)C.O.[Na+]

InChI

InChI=1S/C26H27N3O5S.Na.H2O/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;;/h6-15,28H,1-5H3,(H,27,30,31);;1H2/q;+1;/p-1

Property Name	Value
Molecular Formula	C26H28N3NaO6S
Molecular Weight	533.58
AlogP	4.02
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	110.26
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C26H28N3NaO6S

Molecular Weight

533.58

AlogP

4.02

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

110.26

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

35.0

Mechanism of Action	Action	Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor	INHIBITOR	FDA

Mechanism of Action

Action

Reference

Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor

INHIBITOR

FDA

Resources	Reference
ChEMBL	CHEMBL3544985
FDA SRS	OG6D40M62L

Resources

Reference

ChEMBL

CHEMBL3544985

FDA SRS

OG6D40M62L

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

DASABUVIR SODIUM

Structure

Physicochemical Descriptors

Pharmacology

Cross References