EcoDrugPlus


Synonyms	GS-9131 GS-9148 PHOSPHONOAMIDATE PRODRUG GS9131 Gs-9131 Rovafovir etalafenamide
Status
Molecule Category	Free-form
UNII	U8S0IC8DY7

Synonyms

GS-9131

GS-9148 PHOSPHONOAMIDATE PRODRUG

GS9131

Gs-9131

Rovafovir etalafenamide

Status

Molecule Category

Free-form

UNII

U8S0IC8DY7


InChI Key	OCJRRXHWPBXZSU-BNCZGPJRSA-N
Smiles	CCOC(=O)[C@H](C)N[P@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c(N)ncnc32)O1)Oc1ccccc1
InChI	InChI=1S/C21H24FN6O6P/c1-3-31-21(29)13(2)27-35(30,34-14-7-5-4-6-8-14)12-32-16-9-15(22)20(33-16)28-11-26-17-18(23)24-10-25-19(17)28/h4-11,13,16,20H,3,12H2,1-2H3,(H,27,30)(H2,23,24,25)/t13-,16-,20+,35-/m0/s1

InChI Key

OCJRRXHWPBXZSU-BNCZGPJRSA-N

Smiles

CCOC(=O)[C@H](C)N[P@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c(N)ncnc32)O1)Oc1ccccc1

InChI

InChI=1S/C21H24FN6O6P/c1-3-31-21(29)13(2)27-35(30,34-14-7-5-4-6-8-14)12-32-16-9-15(22)20(33-16)28-11-26-17-18(23)24-10-25-19(17)28/h4-11,13,16,20H,3,12H2,1-2H3,(H,27,30)(H2,23,24,25)/t13-,16-,20+,35-/m0/s1

Property Name	Value
Molecular Formula	C21H24FN6O6P
Molecular Weight	506.43
AlogP	2.9
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	152.71
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C21H24FN6O6P

Molecular Weight

506.43

AlogP

2.9

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

152.71

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

35.0

Mechanism of Action	Action	Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor	INHIBITOR	PubMed PubMed

Mechanism of Action

Action

Reference

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

INHIBITOR

PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL4594257
FDA SRS	U8S0IC8DY7
SureChEMBL	SCHEMBL1568476
ZINC	ZINC000101490830

Resources

Reference

ChEMBL

FDA SRS

SureChEMBL

ZINC

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

ROVAFOVIR ETALAFENAMIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References