> Trialight public data. Index of pages: https://trialight.com/llms.txt
> Web page: https://trialight.com/data/asset/simnotrelvir-a2b2c682-264f-4e75-a71f-ee5c389db3f8
> Record changed: 2026-10-13

# Simnotrelvir

Highest phase reached

Phase 2

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

Drug type

Small molecule

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

## Development status

**Listing at source**

Listed

**Highest phase reached**

Phase 2

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

## Names and chemistry

**Drug type**

Small molecule

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

**Drug name**

Simnotrelvir

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

**Molecular weight**

536.6

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

**Structure (SMILES)**

COC\[C@@H\](NC(=O)C1CCCC(F)(F)C1)C(=O)N\[C@H\](Cc1ccccc1)C(=O)C(=O)NCc1nccs1

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

### Brand names (2)

- simnotrelvir component of xiannuoxin
- Simnotrelvir component of xiannuoxin

### Other names (21)

- sim 0417
- SIM-0417
- sim0417
- Sim0417
- SIM0417
- simnotrelvir
- Simnotrelvir
- Simnotrelvir \[WHO-DD\]
- simnotrelvir who dd
- ssd 8432
- SSD-8432
- ssd8432
- SSD8432
- SSD8432 300mg
- SSD8432 750mg
- sy 110
- SY-110
- sy110
- SY110
- xiannuoxin component simnotrelvir
- XIANNUOXIN COMPONENT SIMNOTRELVIR

## Identifiers

**ChEMBL ID**

CHEMBL5570561

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

**InChIKey**

IGYBDBUREWZAAX-OMKBGSMGSA-N

Source: [www.ebi.ac.uk](https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5570561)

**PubChem compound IDs**

- 167312484

**FDA ingredient codes (UNII)**

- R4QFU2UR3K

## Regulatory information

### Other regulatory facts

**First in class**

No

**Orphan designation**

No

## Pharmacology

### Drug classification

**Pharmacology name**

SY110

**Type**

Synthetic organic

**Drug name stem**

\-vir

### Investigated indications

- **Condition**  
Severe Acute Respiratory Syndrome

**Highest recorded phase**  
2

**Condition identifier**  
MONDO:0100096

**Subject identifier**  
D045169

### Open Targets indications (2)

- **Condition identifier**  
MONDO\_0100096
- **Condition identifier**  
MONDO\_0100096

**Highest recorded phase**  
2

### Trial references

- NCT05506176  
Source: [clinicaltrials.gov](https://clinicaltrials.gov/study/NCT05506176)

## Chemical properties

**Hydrogen bond acceptors**

7

**Hydrogen bond donors**

3

**Polar surface area**

126.49

**Calculated partition coefficient (ALogP)**

2.01

**Calculated partition coefficient (XLogP)**

2.4

**Prodrug**

No

**Chirality**

Racemic

**Inorganic**

No

**Rule-of-five violations**

1

**Rotatable bonds**

12

**Heavy atoms**

37

**Molecular formula**

C25H30F2N4O5S

**Monoisotopic mass**

536.19049757

**Natural product**

No

## Evidence counts

**Recorded assays**

3

**Active assays**

2

### Active assay types

- Confirmatory

## Related records

### Trials (8)

- [A Clinical Study to Evaluate the Efficacy and Safety of SIM0417 Orally Co-Administered With Ritonavir in Symptomatic Adult Participants With Mild to Moderate COVID-19](https://trialight.com/data/trial/a-clinical-study-to-evaluate-the-efficacy-and-safety-of-c555a9ce-41fa-49b0-a64c-0be7162acaf4.md)
- A Phase I Clinical Study of SSD8432 in Healthy Adult Subjects
- Evaluation of SSD8432 and Ritonavir in Adult Subjects With COVID-19 Clinical Study
- Hepatic Impairment and Renal Impairment Study of SIM0417 Combined With Ritonavir
- Safety and Pharmacokinetics of SIM0417 Combined With Ritonavir in Healthy Elderly Subjects
- Study to Investigate the Mass Balance and Biotransformation of SIM0417 in Healthy Adult Chinese Male Participants
- To Evaluate SSD8432/ Ritonavir in Adults With COVID-19
- To Evaluate SSD8432/Ritonavir in Adults With COVID-19

### In development for (1)

- [COVID-19](https://trialight.com/data/condition/covid-19-13f0ebf3-c291-557d-bdef-93563d077103.md) Phase 2

---

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