EcoDrugPlus


Synonyms	Inarigivir soproxil SB 9200 SB-44 SB-9200 Sb 9200
Status
Molecule Category	Free-form
UNII	365052M0DK

Synonyms

Inarigivir soproxil

SB 9200

SB-44

SB-9200

Sb 9200

Status

Molecule Category

Free-form

UNII

365052M0DK


InChI Key	CJCYTUJOSMYXLE-JDLSZIHUSA-N
Smiles	CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
InChI	InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1

InChI Key

CJCYTUJOSMYXLE-JDLSZIHUSA-N

Smiles

CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O

InChI

InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1

Property Name	Value
Molecular Formula	C25H34N7O13PS
Molecular Weight	703.62
AlogP	0.27
Hydrogen Bond Acceptor	20.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	13.0
Polar Surface Area	263.69
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	47.0

Property Name

Value

Molecular Formula

C25H34N7O13PS

Molecular Weight

703.62

AlogP

0.27

Hydrogen Bond Acceptor

20.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

13.0

Polar Surface Area

263.69

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

47.0

Resources	Reference
ChEMBL	CHEMBL1076930
DrugBank	DB15063
FDA SRS	365052M0DK
PubChem	24737742

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

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

INARIGIVIR SOPROXIL

Structure

Physicochemical Descriptors

Cross References