EcoDrugPlus


Synonyms	BMS-663068-03 Fostemsavir trometamol Fostemsavir tromethamine GSK-3684934A GSK3684934A Rukobia
Status
Molecule Category	Salt-form
UNII	2X513P36U0

Synonyms

BMS-663068-03

Fostemsavir trometamol

Fostemsavir tromethamine

GSK-3684934A

GSK3684934A

Rukobia

Status

Molecule Category

Salt-form

UNII

2X513P36U0


InChI Key	RRGJSMBMTOKHTE-UHFFFAOYSA-N
Smiles	COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O.NC(CO)(CO)CO
InChI	InChI=1S/C25H26N7O8P.C4H11NO3/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17;5-4(1-6,2-7)3-8/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38);6-8H,1-3,5H2

InChI Key

RRGJSMBMTOKHTE-UHFFFAOYSA-N

Smiles

COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O.NC(CO)(CO)CO

InChI

InChI=1S/C25H26N7O8P.C4H11NO3/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17;5-4(1-6,2-7)3-8/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38);6-8H,1-3,5H2

Property Name	Value
Molecular Formula	C29H37N8O11P
Molecular Weight	704.63
AlogP	1.17
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	182.21
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	41.0

Property Name

Value

Molecular Formula

C29H37N8O11P

Molecular Weight

704.63

AlogP

1.17

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

182.21

Molecular species

ACID

Aromatic Rings

4.0

Heavy Atoms

41.0

Mechanism of Action	Action	Reference
Envelope polyprotein GP160 inhibitor	INHIBITOR	FDA

Mechanism of Action

Action

Reference

Envelope polyprotein GP160 inhibitor

INHIBITOR

FDA

Resources	Reference
ChEMBL	CHEMBL3301598
FDA SRS	2X513P36U0
PubChem	46892186
SureChEMBL	SCHEMBL14659293

Resources

Reference

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FOSTEMSAVIR TROMETHAMINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References