Compound Detail
CHEMBL3989553
NAFAMOSTAT MESYLATE 🧪 Phase III
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🧪 Phase III
CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3989553 |
| Name | NAFAMOSTAT MESYLATE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | SRXKIZXIRHMPFW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL273264 |
| Active Moiety | CHEMBL273264 |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
5
Known Names
1
Indications
Molecular Properties
347.4
MW (Da)
2.65
ALogP
4
HBA
5
HBD
138.1
PSA (Ų)
0.21
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Severe Acute Respiratory Syndrome
Activity Summary
EC50 4 meas. best 8.85
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 8.85 | 8.575 | 1.4 | 2 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | EC50 | 8.23 | 7.645 | 5.9 | 2 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 1.4 | nM | 8.85 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 c... | 38160620 |
| SARS-CoV-2 | EC50 | = | 5.0 | nM | 8.3 | Antiviral activity against SARS-CoV-2 infected in human Vero cells assessed as r... | 38160620 |
| Middle East respiratory syndrome-related coronavirus | EC50 | = | 5.9 | nM | 8.23 | Antiviral activity against MERS-CoV infected in human Calu-3 cells assessed as i... | 38160620 |
| SARS-CoV-2 | IC50 | = | 40.0 | nM | 7.4 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Middle East respiratory syndrome-related coronavirus | EC50 | = | 87.0 | nM | 7.06 | Antiviral activity against MERS-CoV infected in human Calu-3 cells assessed as i... | 37597435 |
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of FTO (unknown origin) expressed in Escherichia coli BL21(DE3) using... | 38805939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 38160620 | 10.1016/j.ejmech.2023.116069 | SARS-CoV-2 | 2 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | Caco-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | ADMET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 34730959 | 10.1021/acs.jmedchem.1c01494 | SARS-CoV-2 | 1 |
| 38160620 | 10.1016/j.ejmech.2023.116069 | Middle East respiratory syndrome-related coronavirus | 1 |
| 37597435 | 10.1016/j.ejmech.2023.115719 | Middle East respiratory syndrome-related coronavirus | 1 |
| 38805939 | 10.1016/j.ejmech.2024.116526 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
Data from ChEMBL 36 via Core Engine