Compound Detail
CHEMBL3349001
AVN-944 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3349001 |
| Name | AVN-944 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GYCPCOJTCINIFZ-OXJNMPFZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
3
Known Names
1
Indications
1
Mechanisms
Molecular Properties
477.5
MW (Da)
5.47
ALogP
7
HBA
3
HBD
138.5
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor | INHIBITOR | Inosine-5'-monophosphate dehydrogenase (IMPDH) | ✓ | ✓ |
Indications
Pancreatic Neoplasms
Activity Summary
IC50 2 meas. best 5.94
EC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monkeypox virus CHEMBL613120 | EC50 | 7.46 | 7.46 | 34.5 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.94 | 5.94 | 1140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monkeypox virus | EC50 | = | 34.5 | nM | 7.46 | Antiviral activity against Monkeypox virus V79-1-005 infected in Vero cells asse... | 38160620 |
| SARS-CoV-2 | IC50 | = | 1140.0 | nM | 5.94 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| SARS-CoV-2 | IC50 | = | 1140.0 | nM | 5.94 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495565 | Vero C1008 | 2 |
| - | 10.6019/CHEMBL4495565 | ADMET | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38160620 | 10.1016/j.ejmech.2023.116069 | Monkeypox virus | 1 |
Data from ChEMBL 36 via Core Engine